4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine

C23H18F3N11S2 — CID 157194065

IUPAC4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine
SMILESCc1[nH]ncc1-c1csc(Nc2ccccn2)n1.FC(F)(F)c1[nH]ncc1-c1nsc(Nc2ccccn2)n1
InChIInChI=1S/C12H11N5S.C11H7F3N6S/c1-8-9(6-14-17-8)10-7-18-12(15-10)16-11-4-2-3-5-13-11;12-11(13,14)8-6(5-16-19-8)9-18-10(21-20-9)17-7-3-1-2-4-15-7/h2-7H,1H3,(H,14,17)(H,13,15,16);1-5H,(H,16,19)(H,15,17,18,20)
InChIKeyAQAMOXJNGFHHAA-UHFFFAOYSA-N
MW569.60 g/mol
LogP6.07
Rot. Bonds6

About 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine

4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 157194065) has the molecular formula C23H18F3N11S2 and a molecular weight of 569.60 g/mol. Its IUPAC name is 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine
PubChem CID157194065
Molecular FormulaC23H18F3N11S2
Molecular Weight569.60 g/mol
Exact Mass569.11
IUPAC Name4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine
SMILESCc1[nH]ncc1-c1csc(Nc2ccccn2)n1.FC(F)(F)c1[nH]ncc1-c1nsc(Nc2ccccn2)n1
InChIInChI=1S/C12H11N5S.C11H7F3N6S/c1-8-9(6-14-17-8)10-7-18-12(15-10)16-11-4-2-3-5-13-11;12-11(13,14)8-6(5-16-19-8)9-18-10(21-20-9)17-7-3-1-2-4-15-7/h2-7H,1H3,(H,14,17)(H,13,15,16);1-5H,(H,16,19)(H,15,17,18,20)
InChIKeyAQAMOXJNGFHHAA-UHFFFAOYSA-N
XLogP6.07
TPSA145.87 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500569.60
LogP ≤ 56.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
5-methyl-4-(1H-pyrazol-4-yl)-N-(pyridin-2-yl)thiazol-2-amine
CID 25138329
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 91800755
5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42645256
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 137920345
N-pyridin-2-yl-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-2-amine
CID 25204108
4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25205066
N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
CID 42645042
N-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 42645264
N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 42645966
N-(6-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 42646211

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine (CID 157194065) is 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine is Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1.FC(F)(F)c1[nH]ncc1-c1nsc(Nc2ccccn2)n1.
What is the InChIKey of 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is AQAMOXJNGFHHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S.C11H7F3N6S/c1-8-9(6-14-17-8)10-7-18-12(15-10)16-11-4-2-3-5-13-11;12-11(13,14)8-6(5-16-19-8)9-18-10(21-20-9)17-7-3-1-2-4-15-7/h2-7H,1H3,(H,14,17)(H,13,15,16);1-5H,(H,16,19)(H,15,17,18,20).
What are the key properties of 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine?
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 569.60 g/mol, XLogP of 6.07, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 157194065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).