4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C16H22N2OS2 — CID 55602184

IUPAC4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C16H22N2OS2/c1-10(2)9-18(11(3)4)16(19)14-12(5)17-15(21-14)13-7-6-8-20-13/h6-8,10-11H,9H2,1-5H3
InChIKeyZQCBTPSQUIHSDX-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.69
Rot. Bonds5

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

4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55602184) has the molecular formula C16H22N2OS2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55602184
Molecular FormulaC16H22N2OS2
Molecular Weight322.50 g/mol
Exact Mass322.12
IUPAC Name4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)N(CC(C)C)C(C)C
InChIInChI=1S/C16H22N2OS2/c1-10(2)9-18(11(3)4)16(19)14-12(5)17-15(21-14)13-7-6-8-20-13/h6-8,10-11H,9H2,1-5H3
InChIKeyZQCBTPSQUIHSDX-UHFFFAOYSA-N
XLogP4.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 47029764
[1-(ethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 18199433
N-(5-hydroxy-4-methylpentyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 103861966
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808
4-methyl-N-(pyridin-4-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86911102
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82427273
N,4-dimethyl-2-thiophen-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 134047298
2-methyl-1-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 18159950
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
4-methyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxamide
CID 81341188
2-methoxy-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 106107082

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 55602184) is 4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)N(CC(C)C)C(C)C.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZQCBTPSQUIHSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS2/c1-10(2)9-18(11(3)4)16(19)14-12(5)17-15(21-14)13-7-6-8-20-13/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 322.50 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)-N-propan-2-yl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55602184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).