2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C16H14F3N5OS — CID 117085954

IUPAC2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCn1nccc1Nc1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C16H14F3N5OS/c1-24-13(5-6-21-24)23-15-22-12(9-26-15)14(25)20-8-10-3-2-4-11(7-10)16(17,18)19/h2-7,9H,8H2,1H3,(H,20,25)(H,22,23)
InChIKeyUVYYURSMIKSKKH-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.57
Rot. Bonds5

About 2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 117085954) has the molecular formula C16H14F3N5OS and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID117085954
Molecular FormulaC16H14F3N5OS
Molecular Weight381.38 g/mol
Exact Mass381.09
IUPAC Name2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCn1nccc1Nc1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C16H14F3N5OS/c1-24-13(5-6-21-24)23-15-22-12(9-26-15)14(25)20-8-10-3-2-4-11(7-10)16(17,18)19/h2-7,9H,8H2,1H3,(H,20,25)(H,22,23)
InChIKeyUVYYURSMIKSKKH-UHFFFAOYSA-N
XLogP3.57
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 117085954) is 2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is Cn1nccc1Nc1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UVYYURSMIKSKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5OS/c1-24-13(5-6-21-24)23-15-22-12(9-26-15)14(25)20-8-10-3-2-4-11(7-10)16(17,18)19/h2-7,9H,8H2,1H3,(H,20,25)(H,22,23).
What are the key properties of 2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117085954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).