3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride

C17H21BrClN3OS — CID 119698879

IUPAC3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)C1
InChIInChI=1S/C17H20BrN3OS.ClH/c18-13-6-4-11(5-7-13)8-15-10-20-17(23-15)21-16(22)12-2-1-3-14(19)9-12;/h4-7,10,12,14H,1-3,8-9,19H2,(H,20,21,22);1H
InChIKeyFSGLTFFOYUJLPF-UHFFFAOYSA-N
MW430.80 g/mol
LogP4.37
Rot. Bonds4

About 3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119698879) has the molecular formula C17H21BrClN3OS and a molecular weight of 430.80 g/mol. Its IUPAC name is 3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119698879
Molecular FormulaC17H21BrClN3OS
Molecular Weight430.80 g/mol
Exact Mass429.03
IUPAC Name3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)C1
InChIInChI=1S/C17H20BrN3OS.ClH/c18-13-6-4-11(5-7-13)8-15-10-20-17(23-15)21-16(22)12-2-1-3-14(19)9-12;/h4-7,10,12,14H,1-3,8-9,19H2,(H,20,21,22);1H
InChIKeyFSGLTFFOYUJLPF-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

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Related Compounds

3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119752437
3-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119702612
cis-(1R,2S)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 167944765
(2S,5R)-5-(aminomethyl)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120785174
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
N-[5-[(4-bromo-3-chlorophenyl)methyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 43836761
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119698887
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 18164840
N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 46535713
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-(propan-2-ylamino)propanamide
CID 166226064
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 30684704
3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119738004

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119698879) is 3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)C1.
What is the InChIKey of 3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is FSGLTFFOYUJLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3OS.ClH/c18-13-6-4-11(5-7-13)8-15-10-20-17(23-15)21-16(22)12-2-1-3-14(19)9-12;/h4-7,10,12,14H,1-3,8-9,19H2,(H,20,21,22);1H.
What are the key properties of 3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[5-[(4-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-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119698879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).