N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

C17H15N3O2S3 — CID 19630089

IUPACN-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCC(Sc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1nccs1
InChIInChI=1S/C17H15N3O2S3/c1-11(15(21)20-17-18-8-10-24-17)25-13-6-4-12(5-7-13)19-16(22)14-3-2-9-23-14/h2-11H,1H3,(H,19,22)(H,18,20,21)
InChIKeyLMODDKBMAZDSCB-UHFFFAOYSA-N
MW389.53 g/mol
LogP4.58
Rot. Bonds6

About N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 19630089) has the molecular formula C17H15N3O2S3 and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID19630089
Molecular FormulaC17H15N3O2S3
Molecular Weight389.53 g/mol
Exact Mass389.03
IUPAC NameN-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCC(Sc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1nccs1
InChIInChI=1S/C17H15N3O2S3/c1-11(15(21)20-17-18-8-10-24-17)25-13-6-4-12(5-7-13)19-16(22)14-3-2-9-23-14/h2-11H,1H3,(H,19,22)(H,18,20,21)
InChIKeyLMODDKBMAZDSCB-UHFFFAOYSA-N
XLogP4.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]benzamide
CID 19630732
N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 22776740
(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 2232967
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
N-[(Z)-1-(2-fluorophenyl)-3-oxo-3-[4-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 124558371
N-[(Z)-1-(2,6-dichlorophenyl)-3-oxo-3-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19713845
N-[(Z)-1-(2-methoxyphenyl)-3-oxo-3-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19714244
N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[4-[(2R)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 124558376
N-[(E)-3-oxo-3-[4-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylanilino]-1-(5-phenylfuran-2-yl)prop-1-en-2-yl]benzamide
CID 99129308
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 2994565
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 40964488
N-[(Z)-1-[5-(4-methylphenyl)furan-2-yl]-3-oxo-3-[4-[(2R)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 99129677

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide (CID 19630089) is N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide is CC(Sc1ccc(NC(=O)c2cccs2)cc1)C(=O)Nc1nccs1.
What is the InChIKey of N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is LMODDKBMAZDSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S3/c1-11(15(21)20-17-18-8-10-24-17)25-13-6-4-12(5-7-13)19-16(22)14-3-2-9-23-14/h2-11H,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide?
N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 389.53 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19630089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).