N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide

C19H18N2O2S2 — CID 108737687

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H18N2O2S2/c22-16(17-7-4-10-24-17)8-9-18(23)20-12-15-13-25-19(21-15)11-14-5-2-1-3-6-14/h1-7,10,13H,8-9,11-12H2,(H,20,23)
InChIKeyZBCQMLYOXXBRGD-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.07
Rot. Bonds8

About N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 108737687) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID108737687
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C19H18N2O2S2/c22-16(17-7-4-10-24-17)8-9-18(23)20-12-15-13-25-19(21-15)11-14-5-2-1-3-6-14/h1-7,10,13H,8-9,11-12H2,(H,20,23)
InChIKeyZBCQMLYOXXBRGD-UHFFFAOYSA-N
XLogP4.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586
4-oxo-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 108738582
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-fluorobenzamide
CID 108760464
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131911007
N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9104484
[2-(benzylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2465528
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-(4-chloro-3,5-dimethylphenoxy)butanamide
CID 108760585
4-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]methyl]benzamide
CID 108743971
prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate
CID 108737641
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110357360

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 108737687) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)NCc1csc(Cc2ccccc2)n1.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is ZBCQMLYOXXBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c22-16(17-7-4-10-24-17)8-9-18(23)20-12-15-13-25-19(21-15)11-14-5-2-1-3-6-14/h1-7,10,13H,8-9,11-12H2,(H,20,23).
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 370.50 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108737687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).