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

C16H18N6OS2 — CID 90925263

IUPAC5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1csc(NC(=O)c2nc(C)sc2Nc2cc(C3CC3)nn2C)n1
InChIInChI=1S/C16H18N6OS2/c1-8-7-24-16(17-8)20-14(23)13-15(25-9(2)18-13)19-12-6-11(10-4-5-10)21-22(12)3/h6-7,10,19H,4-5H2,1-3H3,(H,17,20,23)
InChIKeyPCZUNVAWRXUZHO-UHFFFAOYSA-N
MW374.50 g/mol
LogP3.82
Rot. Bonds5

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

5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 90925263) has the molecular formula C16H18N6OS2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID90925263
Molecular FormulaC16H18N6OS2
Molecular Weight374.50 g/mol
Exact Mass374.10
IUPAC Name5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1csc(NC(=O)c2nc(C)sc2Nc2cc(C3CC3)nn2C)n1
InChIInChI=1S/C16H18N6OS2/c1-8-7-24-16(17-8)20-14(23)13-15(25-9(2)18-13)19-12-6-11(10-4-5-10)21-22(12)3/h6-7,10,19H,4-5H2,1-3H3,(H,17,20,23)
InChIKeyPCZUNVAWRXUZHO-UHFFFAOYSA-N
XLogP3.82
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide
CID 164629893
5-[(5-cyclopropyl-2-methylpyrazol-3-yl)amino]-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 90842006
3-(5-Cyclopropyl-2-methyl-2H-pyrazol-3-ylamino)-6-methyl-pyridine-2-carboxylic acid (4-methyl-thiazol-2-yl)-amide
CID 25097158
5-[(3-Cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazole-4-carboxylic acid
CID 68405939
[5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 87442567
5-[(2,5-dimethylpyrazol-3-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90788891
5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 90999882
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3685354
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 24044743
2-acetamido-N-(3-tert-butyl-1-methylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 45816194
N-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1H-pyrazol-5-yl)-5-isobutyl-2-methylthiazole-4-carboxamide
CID 60177991
N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-methyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 95859726

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 90925263) is 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1csc(NC(=O)c2nc(C)sc2Nc2cc(C3CC3)nn2C)n1.
What is the InChIKey of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PCZUNVAWRXUZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS2/c1-8-7-24-16(17-8)20-14(23)13-15(25-9(2)18-13)19-12-6-11(10-4-5-10)21-22(12)3/h6-7,10,19H,4-5H2,1-3H3,(H,17,20,23).
What are the key properties of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 374.50 g/mol, XLogP of 3.82, 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-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90925263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).