N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide

C11H12N2O2S — CID 110696290

IUPACN-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NCc2ccco2)sc1C
InChIInChI=1S/C11H12N2O2S/c1-7-8(2)16-11(13-7)10(14)12-6-9-4-3-5-15-9/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeySSXKRHNJDJXKKC-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.28
Rot. Bonds3

About N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide

N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide (PubChem CID 110696290) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
PubChem CID110696290
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NCc2ccco2)sc1C
InChIInChI=1S/C11H12N2O2S/c1-7-8(2)16-11(13-7)10(14)12-6-9-4-3-5-15-9/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeySSXKRHNJDJXKKC-UHFFFAOYSA-N
XLogP2.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 70669405
5-chloro-N-(furan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625309
2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 82119492
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide
CID 45491510
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78773680
N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 845080
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate
CID 110675610
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide (CID 110696290) is N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)NCc2ccco2)sc1C.
What is the InChIKey of N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is SSXKRHNJDJXKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-8(2)16-11(13-7)10(14)12-6-9-4-3-5-15-9/h3-5H,6H2,1-2H3,(H,12,14).
What are the key properties of N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide?
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).