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

C12H13N3O3S — CID 36709264

IUPACN-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C12H13N3O3S/c1-8(16)13-4-5-14-11(17)9-7-19-12(15-9)10-3-2-6-18-10/h2-3,6-7H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyMCMRILNHIVWFQF-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.27
Rot. Bonds5

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

N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 36709264) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID36709264
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C12H13N3O3S/c1-8(16)13-4-5-14-11(17)9-7-19-12(15-9)10-3-2-6-18-10/h2-3,6-7H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyMCMRILNHIVWFQF-UHFFFAOYSA-N
XLogP1.27
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 47438726
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 51089742
(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 114006424
4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81064620
2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65215285
N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
methyl 4-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoate
CID 38021103
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 47022125
2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623144
2-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 36769984
2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111115525

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (CID 36709264) is N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is CC(=O)NCCNC(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MCMRILNHIVWFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8(16)13-4-5-14-11(17)9-7-19-12(15-9)10-3-2-6-18-10/h2-3,6-7H,4-5H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36709264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).