3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

C14H16BrN3OS2 — CID 119785268

IUPAC3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)C1
InChIInChI=1S/C14H16BrN3OS2/c15-9-5-12(20-6-9)11-7-21-14(17-11)18-13(19)8-2-1-3-10(16)4-8/h5-8,10H,1-4,16H2,(H,17,18,19)
InChIKeyJTQTWTLDYVJYDG-UHFFFAOYSA-N
MW386.34 g/mol
LogP4.09
Rot. Bonds3

About 3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide

3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (PubChem CID 119785268) has the molecular formula C14H16BrN3OS2 and a molecular weight of 386.34 g/mol. Its IUPAC name is 3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
PubChem CID119785268
Molecular FormulaC14H16BrN3OS2
Molecular Weight386.34 g/mol
Exact Mass384.99
IUPAC Name3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)C1
InChIInChI=1S/C14H16BrN3OS2/c15-9-5-12(20-6-9)11-7-21-14(17-11)18-13(19)8-2-1-3-10(16)4-8/h5-8,10H,1-4,16H2,(H,17,18,19)
InChIKeyJTQTWTLDYVJYDG-UHFFFAOYSA-N
XLogP4.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide 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-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119735188
N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 167986693
3-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119713315
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1225742
3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119694456
3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830465
3-amino-N-[(4-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731570
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
3-amino-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1-carboxamide
CID 63043384
3-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119679930
3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119698879
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 63041965

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide (CID 119785268) is 3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)C1.
What is the InChIKey of 3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
The InChIKey is JTQTWTLDYVJYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS2/c15-9-5-12(20-6-9)11-7-21-14(17-11)18-13(19)8-2-1-3-10(16)4-8/h5-8,10H,1-4,16H2,(H,17,18,19).
What are the key properties of 3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide?
3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide has a molecular weight of 386.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119785268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).