4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

C10H14BrN3OS — CID 60849806

IUPAC4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ncc(Br)s2)CC1
InChIInChI=1S/C10H14BrN3OS/c11-8-5-13-10(16-8)14-9(15)6-1-3-7(12)4-2-6/h5-7H,1-4,12H2,(H,13,14,15)
InChIKeyQDBAPQDFMAIEFF-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.36
Rot. Bonds2

About 4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 60849806) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID60849806
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC Name4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ncc(Br)s2)CC1
InChIInChI=1S/C10H14BrN3OS/c11-8-5-13-10(16-8)14-9(15)6-1-3-7(12)4-2-6/h5-7H,1-4,12H2,(H,13,14,15)
InChIKeyQDBAPQDFMAIEFF-UHFFFAOYSA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
4-amino-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 138524929
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
N-(5-ethynyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 144888956
(2R,5S)-5-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944552
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 79161232
4-amino-N-[5-[(5-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 139951763
N-(5-bromo-1,3-thiazol-2-yl)-3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 154788349
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide
CID 118104957
3-(5-bromo-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
CID 11176632

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide (CID 60849806) is 4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2ncc(Br)s2)CC1.
What is the InChIKey of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is QDBAPQDFMAIEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c11-8-5-13-10(16-8)14-9(15)6-1-3-7(12)4-2-6/h5-7H,1-4,12H2,(H,13,14,15).
What are the key properties of 4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 304.21 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60849806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).