N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide

C17H15N3O2S3 — CID 25283056

IUPACN-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
SMILESCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1
InChIInChI=1S/C17H15N3O2S3/c1-18-13(21)10-24-17-19-14(11-6-3-2-4-7-11)16(25-17)20-15(22)12-8-5-9-23-12/h2-9H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeyZHUFEDUYNHULRK-UHFFFAOYSA-N
MW389.53 g/mol
LogP3.96
Rot. Bonds6

About N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide

N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide (PubChem CID 25283056) has the molecular formula C17H15N3O2S3 and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
PubChem CID25283056
Molecular FormulaC17H15N3O2S3
Molecular Weight389.53 g/mol
Exact Mass389.03
IUPAC NameN-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
SMILESCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1
InChIInChI=1S/C17H15N3O2S3/c1-18-13(21)10-24-17-19-14(11-6-3-2-4-7-11)16(25-17)20-15(22)12-8-5-9-23-12/h2-9H,10H2,1H3,(H,18,21)(H,20,22)
InChIKeyZHUFEDUYNHULRK-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)thiophene-2-carboxamide
CID 25282899
N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]pentanamide
CID 25283011
N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 25283053
N-(2-phenacylsulfanyl-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 163347744
N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 2563953
N-(5-amino-4-phenyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 82342247
N-[2-[(Z)-1-cyano-2-(4-methylphenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 92947302
N-[2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 135555294
N-[5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 40833327
N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2281805
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 34115598
N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide
CID 25282897

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide (CID 25283056) is N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide is CNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cccs2)s1.
What is the InChIKey of N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide?
The InChIKey is ZHUFEDUYNHULRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S3/c1-18-13(21)10-24-17-19-14(11-6-3-2-4-7-11)16(25-17)20-15(22)12-8-5-9-23-12/h2-9H,10H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide?
N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide has a molecular weight of 389.53 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 25283056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).