2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride

C14H17BrClN3OS — CID 119264520

IUPAC2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1nc(-c2cccc(Br)c2)cs1.Cl
InChIInChI=1S/C14H16BrN3OS.ClH/c1-2-4-11(16)13(19)18-14-17-12(8-20-14)9-5-3-6-10(15)7-9;/h3,5-8,11H,2,4,16H2,1H3,(H,17,18,19);1H
InChIKeyQVIJYERJNFFDSG-UHFFFAOYSA-N
MW390.73 g/mol
LogP4.06
Rot. Bonds5

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

2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride (PubChem CID 119264520) has the molecular formula C14H17BrClN3OS and a molecular weight of 390.73 g/mol. Its IUPAC name is 2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
PubChem CID119264520
Molecular FormulaC14H17BrClN3OS
Molecular Weight390.73 g/mol
Exact Mass389.00
IUPAC Name2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1nc(-c2cccc(Br)c2)cs1.Cl
InChIInChI=1S/C14H16BrN3OS.ClH/c1-2-4-11(16)13(19)18-14-17-12(8-20-14)9-5-3-6-10(15)7-9;/h3,5-8,11H,2,4,16H2,1H3,(H,17,18,19);1H
InChIKeyQVIJYERJNFFDSG-UHFFFAOYSA-N
XLogP4.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.73
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
[1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid
CID 155026659
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119694895
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenoxy)propanamide
CID 19203425
2-amino-4-methyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 155026660
(2S)-2-amino-4-methyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 154668589
2-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119273540
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
CID 112760877
2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119694884

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride (CID 119264520) is 2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride is CCCC(N)C(=O)Nc1nc(-c2cccc(Br)c2)cs1.Cl.
What is the InChIKey of 2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride?
The InChIKey is QVIJYERJNFFDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS.ClH/c1-2-4-11(16)13(19)18-14-17-12(8-20-14)9-5-3-6-10(15)7-9;/h3,5-8,11H,2,4,16H2,1H3,(H,17,18,19);1H.
What are the key properties of 2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride?
2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride has a molecular weight of 390.73 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride is sourced from PubChem (CID 119264520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).