2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide

C13H16N2O2S — CID 134058954

IUPAC2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CN(C)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C13H16N2O2S/c1-9(2)7-15(3)13(16)10-8-18-12(14-10)11-5-4-6-17-11/h4-6,8-9H,7H2,1-3H3
InChIKeyKSTFKSBXZIPFSD-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.13
Rot. Bonds4

About 2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 134058954) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID134058954
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)CN(C)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C13H16N2O2S/c1-9(2)7-15(3)13(16)10-8-18-12(14-10)11-5-4-6-17-11/h4-6,8-9H,7H2,1-3H3
InChIKeyKSTFKSBXZIPFSD-UHFFFAOYSA-N
XLogP3.13
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 107202197
N-[(4-bromophenyl)methyl]-2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 36702476
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808
methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate
CID 60766057
2-(furan-2-yl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 36751815
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 47022125
4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81064620
2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55550855
2-(furan-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 51088405
2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65215285
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide (CID 134058954) is 2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide is CC(C)CN(C)C(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KSTFKSBXZIPFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(2)7-15(3)13(16)10-8-18-12(14-10)11-5-4-6-17-11/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134058954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).