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

C30H29F3N10S2 — CID 157073272

IUPAC4-[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
SMILESCCCn1cc(-c2csc(Nc3ccccn3)n2)c(C(F)(F)F)n1.c1ccc(Nc2nc(-c3cnn(CC4CC4)c3)cs2)nc1
InChIInChI=1S/C15H14F3N5S.C15H15N5S/c1-2-7-23-8-10(13(22-23)15(16,17)18)11-9-24-14(20-11)21-12-5-3-4-6-19-12;1-2-6-16-14(3-1)19-15-18-13(10-21-15)12-7-17-20(9-12)8-11-4-5-11/h3-6,8-9H,2,7H2,1H3,(H,19,20,21);1-3,6-7,9-11H,4-5,8H2,(H,16,18,19)
InChIKeyACRGAKFVEOSIPC-UHFFFAOYSA-N
MW650.76 g/mol
LogP8.13
Rot. Bonds10

About 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

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 (PubChem CID 157073272) has the molecular formula C30H29F3N10S2 and a molecular weight of 650.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID157073272
Molecular FormulaC30H29F3N10S2
Molecular Weight650.76 g/mol
Exact Mass650.20
IUPAC Name4-[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
SMILESCCCn1cc(-c2csc(Nc3ccccn3)n2)c(C(F)(F)F)n1.c1ccc(Nc2nc(-c3cnn(CC4CC4)c3)cs2)nc1
InChIInChI=1S/C15H14F3N5S.C15H15N5S/c1-2-7-23-8-10(13(22-23)15(16,17)18)11-9-24-14(20-11)21-12-5-3-4-6-19-12;1-2-6-16-14(3-1)19-15-18-13(10-21-15)12-7-17-20(9-12)8-11-4-5-11/h3-6,8-9H,2,7H2,1H3,(H,19,20,21);1-3,6-7,9-11H,4-5,8H2,(H,16,18,19)
InChIKeyACRGAKFVEOSIPC-UHFFFAOYSA-N
XLogP8.13
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500650.76
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615269
N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 91800755
5-Methylsulfanyl-4-[4-(5-propyl-1-pyridin-2-ylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboximidamide
CID 10003390
N-(3-methylphenyl)-4-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,3-thiazol-2-amine
CID 56659896
N-[6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 110265170
5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 42424047
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-[1-(4-fluorobenzyl)-1H-pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 26329117
N-(cyclopropylmethyl)-5-[1-(4-fluorobenzyl)-1H-pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 26400415
N-benzyl-4-methyl-5-[1-(4-pyridinylmethyl)-1H-pyrazol-3-yl]-1,3-thiazol-2-amine
CID 42167249
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 42330695
N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
CID 42345131

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCn1cc(-c2csc(Nc3ccccn3)n2)c(C(F)(F)F)n1.c1ccc(Nc2nc(-c3cnn(CC4CC4)c3)cs2)nc1.
What is the InChIKey of 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?
The InChIKey is ACRGAKFVEOSIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5S.C15H15N5S/c1-2-7-23-8-10(13(22-23)15(16,17)18)11-9-24-14(20-11)21-12-5-3-4-6-19-12;1-2-6-16-14(3-1)19-15-18-13(10-21-15)12-7-17-20(9-12)8-11-4-5-11/h3-6,8-9H,2,7H2,1H3,(H,19,20,21);1-3,6-7,9-11H,4-5,8H2,(H,16,18,19).
What are the key properties of 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?
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 has a molecular weight of 650.76 g/mol, XLogP of 8.13, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157073272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).