methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate

C14H18N4O3S — CID 47046903

IUPACmethyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cnn(C(C)(C)C)c2C)s1
InChIInChI=1S/C14H18N4O3S/c1-8-9(6-16-18(8)14(2,3)4)11(19)17-13-15-7-10(22-13)12(20)21-5/h6-7H,1-5H3,(H,15,17,19)
InChIKeyWHWRFBAEVFDGEY-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.44
Rot. Bonds3

About methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 47046903) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID47046903
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Namemethyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)c2cnn(C(C)(C)C)c2C)s1
InChIInChI=1S/C14H18N4O3S/c1-8-9(6-16-18(8)14(2,3)4)11(19)17-13-15-7-10(22-13)12(20)21-5/h6-7H,1-5H3,(H,15,17,19)
InChIKeyWHWRFBAEVFDGEY-UHFFFAOYSA-N
XLogP2.44
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18103755
1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 112832463
1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
CID 100647431
methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18101566
1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide
CID 47037207
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 31769618
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 19580079
methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103773
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846
methyl 2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103591
methyl 2-(3-methylbut-2-enoylamino)-1,3-thiazole-5-carboxylate
CID 30709011

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 47046903) is methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(NC(=O)c2cnn(C(C)(C)C)c2C)s1.
What is the InChIKey of methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is WHWRFBAEVFDGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-8-9(6-16-18(8)14(2,3)4)11(19)17-13-15-7-10(22-13)12(20)21-5/h6-7H,1-5H3,(H,15,17,19).
What are the key properties of methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 322.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47046903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).