1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

C17H20N4OS2 — CID 112832463

IUPAC1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cnn(C(C)(C)C)c3C)n2)s1
InChIInChI=1S/C17H20N4OS2/c1-10-6-7-14(24-10)13-9-23-16(19-13)20-15(22)12-8-18-21(11(12)2)17(3,4)5/h6-9H,1-5H3,(H,19,20,22)
InChIKeyUBUOYBBJKBQPRO-UHFFFAOYSA-N
MW360.51 g/mol
LogP4.69
Rot. Bonds3

About 1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 112832463) has the molecular formula C17H20N4OS2 and a molecular weight of 360.51 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
PubChem CID112832463
Molecular FormulaC17H20N4OS2
Molecular Weight360.51 g/mol
Exact Mass360.11
IUPAC Name1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cnn(C(C)(C)C)c3C)n2)s1
InChIInChI=1S/C17H20N4OS2/c1-10-6-7-14(24-10)13-9-23-16(19-13)20-15(22)12-8-18-21(11(12)2)17(3,4)5/h6-9H,1-5H3,(H,19,20,22)
InChIKeyUBUOYBBJKBQPRO-UHFFFAOYSA-N
XLogP4.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112771339
methyl 2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 47046903
(2S)-2-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119271226
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
CID 42009736
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 134003036
1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
CID 100647431
1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide
CID 47037207
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51328878
2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 112771343
2-(difluoromethylsulfanyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 112773085
4-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008469

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide (CID 112832463) is 1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cnn(C(C)(C)C)c3C)n2)s1.
What is the InChIKey of 1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is UBUOYBBJKBQPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2/c1-10-6-7-14(24-10)13-9-23-16(19-13)20-15(22)12-8-18-21(11(12)2)17(3,4)5/h6-9H,1-5H3,(H,19,20,22).
What are the key properties of 1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 360.51 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 112832463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).