N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide

C15H18N2OS2 — CID 16850033

IUPACN-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1nc(CSC)cs1)c1ccccc1
InChIInChI=1S/C15H18N2OS2/c1-3-13(11-7-5-4-6-8-11)14(18)17-15-16-12(9-19-2)10-20-15/h4-8,10,13H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyQDMVIRCQXFVJFV-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.14
Rot. Bonds6

About N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide

N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide (PubChem CID 16850033) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
PubChem CID16850033
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1nc(CSC)cs1)c1ccccc1
InChIInChI=1S/C15H18N2OS2/c1-3-13(11-7-5-4-6-8-11)14(18)17-15-16-12(9-19-2)10-20-15/h4-8,10,13H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyQDMVIRCQXFVJFV-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 64556453
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059
(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 40538784
(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 1291176
(2R)-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 100841717
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 5174437
(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
CID 35542167
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
(2R)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 26205265
(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1245081
(2R)-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 2218642
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
The IUPAC name of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide (CID 16850033) is N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
The canonical SMILES for N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide is CCC(C(=O)Nc1nc(CSC)cs1)c1ccccc1.
What is the InChIKey of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
The InChIKey is QDMVIRCQXFVJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-3-13(11-7-5-4-6-8-11)14(18)17-15-16-12(9-19-2)10-20-15/h4-8,10,13H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide has a molecular weight of 306.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide is sourced from PubChem (CID 16850033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).