2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide

C14H18N2OS2 — CID 50965091

IUPAC2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2ccsc2)CC(C)C)cs1
InChIInChI=1S/C14H18N2OS2/c1-10(2)6-16(7-12-4-5-18-8-12)14(17)13-9-19-11(3)15-13/h4-5,8-10H,6-7H2,1-3H3
InChIKeyLCPGQLBXKNOEHA-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.81
Rot. Bonds5

About 2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 50965091) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID50965091
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(Cc2ccsc2)CC(C)C)cs1
InChIInChI=1S/C14H18N2OS2/c1-10(2)6-16(7-12-4-5-18-8-12)14(17)13-9-19-11(3)15-13/h4-5,8-10H,6-7H2,1-3H3
InChIKeyLCPGQLBXKNOEHA-UHFFFAOYSA-N
XLogP3.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 48573949
1,3-Thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472737
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 45887477
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 30835750
2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 47120048
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 52252995
N-cyclopropyl-N-(2,2-difluoroethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 53596639
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 86997213
N-(2-hydroxyethyl)-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 103857308
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 107482801
N-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 109994737
N-(cyclopropylmethyl)-N-propan-2-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 40149808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 50965091) is 2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(Cc2ccsc2)CC(C)C)cs1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LCPGQLBXKNOEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-10(2)6-16(7-12-4-5-18-8-12)14(17)13-9-19-11(3)15-13/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50965091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).