2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide

C15H18N2OS2 — CID 47255295

IUPAC2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1
InChIInChI=1S/C15H18N2OS2/c1-4-10(2)14(18)17-12-5-7-13(8-6-12)20-15-16-11(3)9-19-15/h5-10H,4H2,1-3H3,(H,17,18)
InChIKeyLMTRJADQJWRANV-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.59
Rot. Bonds5

About 2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide

2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide (PubChem CID 47255295) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide
PubChem CID47255295
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1
InChIInChI=1S/C15H18N2OS2/c1-4-10(2)14(18)17-12-5-7-13(8-6-12)20-15-16-11(3)9-19-15/h5-10H,4H2,1-3H3,(H,17,18)
InChIKeyLMTRJADQJWRANV-UHFFFAOYSA-N
XLogP4.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[3-methyl-1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]anilino]-1-oxobutan-2-yl]carbamate
CID 55813107
1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-[(2R)-pentan-2-yl]urea
CID 51910590
(2S)-N-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499741
4-bromo-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]furan-3-carboxamide
CID 55921210
2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55920308
1-ethyl-2,5-dimethyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pyrrole-3-carboxamide
CID 75416604
1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 52732394
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 55920830
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55919792
N-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 46622345
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 55810921
3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butane-1-sulfonamide
CID 56573436

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide?
The IUPAC name of 2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide (CID 47255295) is 2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide is CCC(C)C(=O)Nc1ccc(Sc2nc(C)cs2)cc1.
What is the InChIKey of 2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide?
The InChIKey is LMTRJADQJWRANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-4-10(2)14(18)17-12-5-7-13(8-6-12)20-15-16-11(3)9-19-15/h5-10H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide?
2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide has a molecular weight of 306.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide is sourced from PubChem (CID 47255295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).