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

C18H17N3O2S2 — CID 38294108

IUPACN-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCc1cccc(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)c1
InChIInChI=1S/C18H17N3O2S2/c1-12-4-2-5-13(8-12)10-19-16(22)9-14-11-25-18(20-14)21-17(23)15-6-3-7-24-15/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyNSTKXHPUUAMARL-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.62
Rot. Bonds6

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

N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 38294108) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID38294108
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC NameN-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCc1cccc(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)c1
InChIInChI=1S/C18H17N3O2S2/c1-12-4-2-5-13(8-12)10-19-16(22)9-14-11-25-18(20-14)21-17(23)15-6-3-7-24-15/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyNSTKXHPUUAMARL-UHFFFAOYSA-N
XLogP3.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-[4-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 60535660
N-[4-[2-[[3-[(3-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55894056
N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55368437
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
N-[4-[2-[1-(3-methoxyphenyl)propan-2-ylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 86941785
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 29369939
N-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51275054
N-[4-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208425
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515460
N-[4-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 27172901

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 38294108) is N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is Cc1cccc(CNC(=O)Cc2csc(NC(=O)c3cccs3)n2)c1.
What is the InChIKey of N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is NSTKXHPUUAMARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-12-4-2-5-13(8-12)10-19-16(22)9-14-11-25-18(20-14)21-17(23)15-6-3-7-24-15/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 38294108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).