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

C16H15F3N6OS2 — CID 90842006

IUPAC5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2nc(C(F)(F)F)cs2)c(Nc2cc(C3CC3)nn2C)s1
InChIInChI=1S/C16H15F3N6OS2/c1-7-20-12(13(26)23-15-21-10(6-27-15)16(17,18)19)14(28-7)22-11-5-9(8-3-4-8)24-25(11)2/h5-6,8,22H,3-4H2,1-2H3,(H,21,23,26)
InChIKeyONDJXESAOKTOML-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.53
Rot. Bonds5

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

5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 90842006) has the molecular formula C16H15F3N6OS2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-[4-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID90842006
Molecular FormulaC16H15F3N6OS2
Molecular Weight428.47 g/mol
Exact Mass428.07
IUPAC Name5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2nc(C(F)(F)F)cs2)c(Nc2cc(C3CC3)nn2C)s1
InChIInChI=1S/C16H15F3N6OS2/c1-7-20-12(13(26)23-15-21-10(6-27-15)16(17,18)19)14(28-7)22-11-5-9(8-3-4-8)24-25(11)2/h5-6,8,22H,3-4H2,1-2H3,(H,21,23,26)
InChIKeyONDJXESAOKTOML-UHFFFAOYSA-N
XLogP4.53
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

[5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-1,3-thiazol-4-yl] N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamate
CID 87441908
N-[5-(N,N-dimethylcarbamoyl)-4-methyl(1,3-thiazol-2-yl)]-2-[5-cyclopropyl-3-(t rifluoromethyl)pyrazolyl]acetamide
CID 19575464
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 35293912
N-(4-ethyl-1,3-dimethyl-1H-pyrazol-5-yl)-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 134710214
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-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90925263
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-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 24044743
N'-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[1,3-di(propan-2-yl)pyrazol-5-yl]oxamide
CID 121580048

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-[4-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (CID 90842006) is 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-[4-(trifluoromethyl)-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-(trifluoromethyl)-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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2nc(C(F)(F)F)cs2)c(Nc2cc(C3CC3)nn2C)s1.
What is the InChIKey of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ONDJXESAOKTOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6OS2/c1-7-20-12(13(26)23-15-21-10(6-27-15)16(17,18)19)14(28-7)22-11-5-9(8-3-4-8)24-25(11)2/h5-6,8,22H,3-4H2,1-2H3,(H,21,23,26).
What are the key properties of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 4.53, 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-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90842006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).