N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C16H18N4OS2 — CID 134052582

IUPACN-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCCC(C)n1nccc1NC(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C16H18N4OS2/c1-4-10(2)20-13(7-8-17-20)19-15(21)14-11(3)18-16(23-14)12-6-5-9-22-12/h5-10H,4H2,1-3H3,(H,19,21)
InChIKeyLNQLQFWOYLZKDZ-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.60
Rot. Bonds5

About N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 134052582) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID134052582
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCCC(C)n1nccc1NC(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C16H18N4OS2/c1-4-10(2)20-13(7-8-17-20)19-15(21)14-11(3)18-16(23-14)12-6-5-9-22-12/h5-10H,4H2,1-3H3,(H,19,21)
InChIKeyLNQLQFWOYLZKDZ-UHFFFAOYSA-N
XLogP4.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 30183975
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CID 27667865
(2R)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
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4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 115594896
N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 103861966
4-methyl-N-(pyridin-4-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
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2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 78772783
N-[4-(2-hydroxyethyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 110902207
(2S)-2-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107563777
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
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4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 134052582) is N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is CCC(C)n1nccc1NC(=O)c1sc(-c2cccs2)nc1C.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LNQLQFWOYLZKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-4-10(2)20-13(7-8-17-20)19-15(21)14-11(3)18-16(23-14)12-6-5-9-22-12/h5-10H,4H2,1-3H3,(H,19,21).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134052582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).