3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

C19H17ClN4O2S2 — CID 141194446

IUPAC3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccc(N3CCSCC3=O)cc2)cn1)c1sccc1Cl
InChIInChI=1S/C19H17ClN4O2S2/c20-16-5-7-28-18(16)19(26)21-9-13-10-23(12-22-13)14-1-3-15(4-2-14)24-6-8-27-11-17(24)25/h1-5,7,10,12H,6,8-9,11H2,(H,21,26)
InChIKeyYKSLUNAZVJDWON-UHFFFAOYSA-N
MW432.96 g/mol
LogP3.60
Rot. Bonds5

About 3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 141194446) has the molecular formula C19H17ClN4O2S2 and a molecular weight of 432.96 g/mol. Its IUPAC name is 3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID141194446
Molecular FormulaC19H17ClN4O2S2
Molecular Weight432.96 g/mol
Exact Mass432.05
IUPAC Name3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccc(N3CCSCC3=O)cc2)cn1)c1sccc1Cl
InChIInChI=1S/C19H17ClN4O2S2/c20-16-5-7-28-18(16)19(26)21-9-13-10-23(12-22-13)14-1-3-15(4-2-14)24-6-8-27-11-17(24)25/h1-5,7,10,12H,6,8-9,11H2,(H,21,26)
InChIKeyYKSLUNAZVJDWON-UHFFFAOYSA-N
XLogP3.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

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CID 24986898
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CID 170608857
3-chloro-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
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4-chloro-N-[[1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]benzamide
CID 90748361
3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide
CID 80641974
3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide
CID 80645088
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)imidazole-4-carboxamide
CID 100816237
3-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 131904380
N-[(3-amino-2-methylphenyl)methyl]-3-chlorothiophene-2-carboxamide
CID 103110206
3-chloro-N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]thiophene-2-carboxamide
CID 129486680
N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (CID 141194446) is 3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is O=C(NCc1cn(-c2ccc(N3CCSCC3=O)cc2)cn1)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is YKSLUNAZVJDWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S2/c20-16-5-7-28-18(16)19(26)21-9-13-10-23(12-22-13)14-1-3-15(4-2-14)24-6-8-27-11-17(24)25/h1-5,7,10,12H,6,8-9,11H2,(H,21,26).
What are the key properties of 3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?
3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 432.96 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-[4-(3-oxothiomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 141194446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).