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

C19H16N4O2S2 — CID 39859559

IUPACN-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C19H16N4O2S2/c1-23(11-14-6-4-13(10-20)5-7-14)17(24)9-15-12-27-19(21-15)22-18(25)16-3-2-8-26-16/h2-8,12H,9,11H2,1H3,(H,21,22,25)
InChIKeyXXSHXHJLUAQZBA-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.53
Rot. Bonds6

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

N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 39859559) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID39859559
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C19H16N4O2S2/c1-23(11-14-6-4-13(10-20)5-7-14)17(24)9-15-12-27-19(21-15)22-18(25)16-3-2-8-26-16/h2-8,12H,9,11H2,1H3,(H,21,22,25)
InChIKeyXXSHXHJLUAQZBA-UHFFFAOYSA-N
XLogP3.53
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55371992
N-[4-[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55369025
N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 38035313
N-[(4-cyanophenyl)methyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 39860098
N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 134017616
N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 134004262
N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119444365
N-[4-[2-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 52701016
N-[4-[2-[[(S)-cyano(naphthalen-1-yl)methyl]-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 96521964
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51191452
N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 119554477
N-[4-[2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55720912

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 39859559) is N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is CN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(NC(=O)c2cccs2)n1.
What is the InChIKey of N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is XXSHXHJLUAQZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-23(11-14-6-4-13(10-20)5-7-14)17(24)9-15-12-27-19(21-15)22-18(25)16-3-2-8-26-16/h2-8,12H,9,11H2,1H3,(H,21,22,25).
What are the key properties of N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 39859559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).