N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide

C19H18N2O2S2 — CID 90546787

IUPACN-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C19H18N2O2S2/c1-13-17(25-19(21-13)16-8-5-11-24-16)12-20-18(23)10-9-15(22)14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3,(H,20,23)
InChIKeyVVJDPMPBSQGBGY-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.46
Rot. Bonds7

About N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide

N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide (PubChem CID 90546787) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
PubChem CID90546787
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC NameN-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C19H18N2O2S2/c1-13-17(25-19(21-13)16-8-5-11-24-16)12-20-18(23)10-9-15(22)14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3,(H,20,23)
InChIKeyVVJDPMPBSQGBGY-UHFFFAOYSA-N
XLogP4.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 121122695
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-phenoxyacetamide
CID 90546642
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 90546719
2-acetamido-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546880
4-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]butanamide
CID 90546874
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
1-(2-methylphenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 71795436
3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546721
2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546701
(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 90546808

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide (CID 90546787) is N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide is Cc1nc(-c2cccs2)sc1CNC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide?
The InChIKey is VVJDPMPBSQGBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-13-17(25-19(21-13)16-8-5-11-24-16)12-20-18(23)10-9-15(22)14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3,(H,20,23).
What are the key properties of N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide?
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide has a molecular weight of 370.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 90546787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).