N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide

C15H18N2OS — CID 898173

IUPACN-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC[C@H](C)c1ccc(-c2csc(NC(C)=O)n2)cc1
InChIInChI=1S/C15H18N2OS/c1-4-10(2)12-5-7-13(8-6-12)14-9-19-15(17-14)16-11(3)18/h5-10H,4H2,1-3H3,(H,16,17,18)/t10-/m0/s1
InChIKeyFYUZMNVUILEJSP-JTQLQIEISA-N
MW274.39 g/mol
LogP4.28
Rot. Bonds4

About N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide

N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 898173) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID898173
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC[C@H](C)c1ccc(-c2csc(NC(C)=O)n2)cc1
InChIInChI=1S/C15H18N2OS/c1-4-10(2)12-5-7-13(8-6-12)14-9-19-15(17-14)16-11(3)18/h5-10H,4H2,1-3H3,(H,16,17,18)/t10-/m0/s1
InChIKeyFYUZMNVUILEJSP-JTQLQIEISA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]pentanediamide
CID 4582028
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 4128093
5-[[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]amino]-5-oxopentanoate
CID 6974874
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-4-chlorobutanamide
CID 4129995
(E)-N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6369891
N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 6552731
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 3649680
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 3254846
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 5059460
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
2-acetamido-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 75869192
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5142108

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide (CID 898173) is N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide is CC[C@H](C)c1ccc(-c2csc(NC(C)=O)n2)cc1.
What is the InChIKey of N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FYUZMNVUILEJSP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N2OS/c1-4-10(2)12-5-7-13(8-6-12)14-9-19-15(17-14)16-11(3)18/h5-10H,4H2,1-3H3,(H,16,17,18)/t10-/m0/s1.
What are the key properties of N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 274.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 898173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).