methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate

C17H22N4O3S — CID 95786316

IUPACmethyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)nc1C(C)(C)C
InChIInChI=1S/C17H22N4O3S/c1-17(2,3)13-12(15(23)24-5)25-16(19-13)20-14(22)11-6-10(11)9-7-18-21(4)8-9/h7-8,10-11H,6H2,1-5H3,(H,19,20,22)/t10-,11+/m0/s1
InChIKeyLLNAZKKTRPTDCN-WDEREUQCSA-N
MW362.46 g/mol
LogP2.70
Rot. Bonds4

About methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate

methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 95786316) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID95786316
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Namemethyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)nc1C(C)(C)C
InChIInChI=1S/C17H22N4O3S/c1-17(2,3)13-12(15(23)24-5)25-16(19-13)20-14(22)11-6-10(11)9-7-18-21(4)8-9/h7-8,10-11H,6H2,1-5H3,(H,19,20,22)/t10-,11+/m0/s1
InChIKeyLLNAZKKTRPTDCN-WDEREUQCSA-N
XLogP2.70
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate
CID 95047778
methyl 4-tert-butyl-2-(pyrrolidine-2-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride
CID 119338669
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049896
trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049899
N-(2-cyclopentyloxyphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935709
2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81009464
methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride
CID 119810039
N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935713
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 120917329
trans-(1R,2R)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95234868
(3R,4S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120927079
trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 136587817

Frequently Asked Questions

What is the IUPAC name of methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate (CID 95786316) is methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)nc1C(C)(C)C.
What is the InChIKey of methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is LLNAZKKTRPTDCN-WDEREUQCSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-17(2,3)13-12(15(23)24-5)25-16(19-13)20-14(22)11-6-10(11)9-7-18-21(4)8-9/h7-8,10-11H,6H2,1-5H3,(H,19,20,22)/t10-,11+/m0/s1.
What are the key properties of methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate?
methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 362.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-tert-butyl-2-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 95786316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).