3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride

C17H21BrClN3OS — CID 119752437

IUPAC3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)C1
InChIInChI=1S/C17H20BrN3OS.ClH/c18-13-5-1-3-11(7-13)8-15-10-20-17(23-15)21-16(22)12-4-2-6-14(19)9-12;/h1,3,5,7,10,12,14H,2,4,6,8-9,19H2,(H,20,21,22);1H
InChIKeyPDJVZYIUQZYVGC-UHFFFAOYSA-N
MW430.80 g/mol
LogP4.37
Rot. Bonds4

About 3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119752437) has the molecular formula C17H21BrClN3OS and a molecular weight of 430.80 g/mol. Its IUPAC name is 3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119752437
Molecular FormulaC17H21BrClN3OS
Molecular Weight430.80 g/mol
Exact Mass429.03
IUPAC Name3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)C1
InChIInChI=1S/C17H20BrN3OS.ClH/c18-13-5-1-3-11(7-13)8-15-10-20-17(23-15)21-16(22)12-4-2-6-14(19)9-12;/h1,3,5,7,10,12,14H,2,4,6,8-9,19H2,(H,20,21,22);1H
InChIKeyPDJVZYIUQZYVGC-UHFFFAOYSA-N
XLogP4.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.80
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119698879
3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119702612
N-[5-[(4-bromo-3-chlorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 43836761
4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590420
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015330
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 7454421
(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 9171281
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 166383774
cis-(1R,2S)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 167944765
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
N-[5-[(3-bromophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 43836758
N-[2-[(3-aminocyclohexanecarbonyl)amino]ethyl]-3-bromobenzamide
CID 119765634

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119752437) is 3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ncc(Cc3cccc(Br)c3)s2)C1.
What is the InChIKey of 3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is PDJVZYIUQZYVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3OS.ClH/c18-13-5-1-3-11(7-13)8-15-10-20-17(23-15)21-16(22)12-4-2-6-14(19)9-12;/h1,3,5,7,10,12,14H,2,4,6,8-9,19H2,(H,20,21,22);1H.
What are the key properties of 3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 430.80 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119752437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).