2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide

C14H16BrN3OS — CID 119266420

IUPAC2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C14H16BrN3OS/c1-8(2)12(16)13(19)18-14-17-11(7-20-14)9-3-5-10(15)6-4-9/h3-8,12H,16H2,1-2H3,(H,17,18,19)
InChIKeyCXBWBTLOGUUBIL-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.49
Rot. Bonds4

About 2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide

2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide (PubChem CID 119266420) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
PubChem CID119266420
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C14H16BrN3OS/c1-8(2)12(16)13(19)18-14-17-11(7-20-14)9-3-5-10(15)6-4-9/h3-8,12H,16H2,1-2H3,(H,17,18,19)
InChIKeyCXBWBTLOGUUBIL-UHFFFAOYSA-N
XLogP3.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119270264
(2S)-2-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119271820
(2S)-2-amino-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119272131
(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 1291176
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
CID 119676269
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 23803090
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
(2S)-2-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119264489
(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 79013002
(2R)-2-amino-N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]propanamide;hydrochloride
CID 119340387
[1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 3-aminobenzoate
CID 23888061

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide (CID 119266420) is 2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide is CC(C)C(N)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The InChIKey is CXBWBTLOGUUBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-8(2)12(16)13(19)18-14-17-11(7-20-14)9-3-5-10(15)6-4-9/h3-8,12H,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide has a molecular weight of 354.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide is sourced from PubChem (CID 119266420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).