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

C19H17BrN2OS — CID 1291176

IUPAC(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1
InChIInChI=1S/C19H17BrN2OS/c1-2-16(13-6-4-3-5-7-13)18(23)22-19-21-17(12-24-19)14-8-10-15(20)11-9-14/h3-12,16H,2H2,1H3,(H,21,22,23)/t16-/m0/s1
InChIKeyGUYDRODZOZMFRN-INIZCTEOSA-N
MW401.33 g/mol
LogP5.70
Rot. Bonds5

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

(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide (PubChem CID 1291176) has the molecular formula C19H17BrN2OS and a molecular weight of 401.33 g/mol. Its IUPAC name is (2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
PubChem CID1291176
Molecular FormulaC19H17BrN2OS
Molecular Weight401.33 g/mol
Exact Mass400.02
IUPAC Name(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1
InChIInChI=1S/C19H17BrN2OS/c1-2-16(13-6-4-3-5-7-13)18(23)22-19-21-17(12-24-19)14-8-10-15(20)11-9-14/h3-12,16H,2H2,1H3,(H,21,22,23)/t16-/m0/s1
InChIKeyGUYDRODZOZMFRN-INIZCTEOSA-N
XLogP5.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.33
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 40538784
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 5174437
(2S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669
1-benzhydryl-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]urea
CID 121082218
(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
CID 35542167
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 64556453
2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119266420
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 16850033
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2-ethylphenoxy)acetamide
CID 19175684
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide (CID 1291176) is (2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide is CC[C@H](C(=O)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccccc1.
What is the InChIKey of (2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
The InChIKey is GUYDRODZOZMFRN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17BrN2OS/c1-2-16(13-6-4-3-5-7-13)18(23)22-19-21-17(12-24-19)14-8-10-15(20)11-9-14/h3-12,16H,2H2,1H3,(H,21,22,23)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide has a molecular weight of 401.33 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide is sourced from PubChem (CID 1291176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).