2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide

C11H11ClN2O2S2 — CID 110904430

IUPAC2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCO)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C11H11ClN2O2S2/c12-9-3-2-8(18-9)11-14-7(6-17-11)10(16)13-4-1-5-15/h2-3,6,15H,1,4-5H2,(H,13,16)
InChIKeyFTUNJXLAEMBJIN-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.64
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 110904430) has the molecular formula C11H11ClN2O2S2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID110904430
Molecular FormulaC11H11ClN2O2S2
Molecular Weight302.81 g/mol
Exact Mass302.00
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCO)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C11H11ClN2O2S2/c12-9-3-2-8(18-9)11-14-7(6-17-11)10(16)13-4-1-5-15/h2-3,6,15H,1,4-5H2,(H,13,16)
InChIKeyFTUNJXLAEMBJIN-UHFFFAOYSA-N
XLogP2.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 119408363
2-(5-chlorothiophen-2-yl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119558785
2-(4-fluorophenyl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 78854756
2-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 47391969
2-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119389747
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119223531
4-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119203967
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
N-(2-carbamoylphenyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 60584375
3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-ethylamino]propanoic acid
CID 119191125
2-(5-chlorothiophen-2-yl)-N-methoxy-N-methyl-1,3-thiazole-4-carboxamide
CID 47391839
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119205035

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide (CID 110904430) is 2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide is O=C(NCCCO)c1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FTUNJXLAEMBJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S2/c12-9-3-2-8(18-9)11-14-7(6-17-11)10(16)13-4-1-5-15/h2-3,6,15H,1,4-5H2,(H,13,16).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 302.81 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110904430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).