5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide

C16H19N7OS — CID 90999882

IUPAC5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccn(C)n2)c(Nc2cc(C3CC3)nn2C)s1
InChIInChI=1S/C16H19N7OS/c1-9-17-14(15(24)18-12-6-7-22(2)21-12)16(25-9)19-13-8-11(10-4-5-10)20-23(13)3/h6-8,10,19H,4-5H2,1-3H3,(H,18,21,24)
InChIKeyHFNCKKMVZKEGOV-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.79
Rot. Bonds5

About 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide

5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 90999882) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID90999882
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccn(C)n2)c(Nc2cc(C3CC3)nn2C)s1
InChIInChI=1S/C16H19N7OS/c1-9-17-14(15(24)18-12-6-7-22(2)21-12)16(25-9)19-13-8-11(10-4-5-10)20-23(13)3/h6-8,10,19H,4-5H2,1-3H3,(H,18,21,24)
InChIKeyHFNCKKMVZKEGOV-UHFFFAOYSA-N
XLogP2.79
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (CID 90999882) is 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccn(C)n2)c(Nc2cc(C3CC3)nn2C)s1.
What is the InChIKey of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HFNCKKMVZKEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-9-17-14(15(24)18-12-6-7-22(2)21-12)16(25-9)19-13-8-11(10-4-5-10)20-23(13)3/h6-8,10,19H,4-5H2,1-3H3,(H,18,21,24).
What are the key properties of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90999882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).