N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C31H35ClN10S2 — CID 161441474

IUPACN-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCCCn1cc(-c2csc(Nc3ccc(Cl)cn3)n2)c(C)n1.CCCn1cc(-c2csc(Nc3cccc(C)n3)n2)c(C)n1
InChIInChI=1S/C16H19N5S.C15H16ClN5S/c1-4-8-21-9-13(12(3)20-21)14-10-22-16(18-14)19-15-7-5-6-11(2)17-15;1-3-6-21-8-12(10(2)20-21)13-9-22-15(18-13)19-14-5-4-11(16)7-17-14/h5-7,9-10H,4,8H2,1-3H3,(H,17,18,19);4-5,7-9H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyVZICTMSBZZTYHV-UHFFFAOYSA-N
MW647.28 g/mol
LogP8.69
Rot. Bonds10

About N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 161441474) has the molecular formula C31H35ClN10S2 and a molecular weight of 647.28 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID161441474
Molecular FormulaC31H35ClN10S2
Molecular Weight647.28 g/mol
Exact Mass646.22
IUPAC NameN-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCCCn1cc(-c2csc(Nc3ccc(Cl)cn3)n2)c(C)n1.CCCn1cc(-c2csc(Nc3cccc(C)n3)n2)c(C)n1
InChIInChI=1S/C16H19N5S.C15H16ClN5S/c1-4-8-21-9-13(12(3)20-21)14-10-22-16(18-14)19-15-7-5-6-11(2)17-15;1-3-6-21-8-12(10(2)20-21)13-9-22-15(18-13)19-14-5-4-11(16)7-17-14/h5-7,9-10H,4,8H2,1-3H3,(H,17,18,19);4-5,7-9H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyVZICTMSBZZTYHV-UHFFFAOYSA-N
XLogP8.69
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500647.28
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615269
N-(5-chloro-2-pyridinyl)-4-pyridazin-3-yl-1,3-thiazol-2-amine
CID 122192412
4-(5-chloro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 46700738
4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(3-thienylmethyl)-1H-pyrazol-3-yl]-1,3-thiazol-2-amine
CID 42481541
4-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
CID 53604217
N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
CID 87097987
N-[6-(difluoromethyl)pyridin-2-yl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)pyridin-2-yl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 87098028
5-chloro-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 87098192
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 89731068
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 89731070
4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 90842696
4-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine;4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 157073272

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 161441474) is N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is CCCn1cc(-c2csc(Nc3ccc(Cl)cn3)n2)c(C)n1.CCCn1cc(-c2csc(Nc3cccc(C)n3)n2)c(C)n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is VZICTMSBZZTYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S.C15H16ClN5S/c1-4-8-21-9-13(12(3)20-21)14-10-22-16(18-14)19-15-7-5-6-11(2)17-15;1-3-6-21-8-12(10(2)20-21)13-9-22-15(18-13)19-14-5-4-11(16)7-17-14/h5-7,9-10H,4,8H2,1-3H3,(H,17,18,19);4-5,7-9H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 647.28 g/mol, XLogP of 8.69, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-(3-methyl-1-propylpyrazol-4-yl)-1,3-thiazol-2-amine;4-(3-methyl-1-propylpyrazol-4-yl)-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 161441474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).