5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine

C15H19N3S — CID 103381127

IUPAC5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine
SMILESNc1nsc(N2CCCCCC2)c1-c1ccccc1
InChIInChI=1S/C15H19N3S/c16-14-13(12-8-4-3-5-9-12)15(19-17-14)18-10-6-1-2-7-11-18/h3-5,8-9H,1-2,6-7,10-11H2,(H2,16,17)
InChIKeyJSLXOGCQTPGBKD-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.77
Rot. Bonds2

About 5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine

5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine (PubChem CID 103381127) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine
PubChem CID103381127
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine
SMILESNc1nsc(N2CCCCCC2)c1-c1ccccc1
InChIInChI=1S/C15H19N3S/c16-14-13(12-8-4-3-5-9-12)15(19-17-14)18-10-6-1-2-7-11-18/h3-5,8-9H,1-2,6-7,10-11H2,(H2,16,17)
InChIKeyJSLXOGCQTPGBKD-UHFFFAOYSA-N
XLogP3.77
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-3-yl-5-pyrrolidin-1-yl-1,2-thiazol-3-amine
CID 103362091
5-[4-(dimethylamino)piperidin-1-yl]-4-phenyl-1,2-thiazol-3-amine
CID 103379473
2-[1-(3-amino-4-phenyl-1,2-thiazol-5-yl)piperidin-3-yl]ethanol
CID 107229416
5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103384010
5-(4,4-dimethylazepan-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103363190
2-(3-amino-4-phenyl-1,2-thiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103383978
1-(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)piperidin-3-ol
CID 103361611
5-[4-(dimethylamino)piperidin-1-yl]-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103360474
3-(azepan-1-yl)-2,1-benzothiazole
CID 51133929
[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361985
4-phenyl-5-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103379011
5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382843

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine (CID 103381127) is 5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine is Nc1nsc(N2CCCCCC2)c1-c1ccccc1.
What is the InChIKey of 5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine?
The InChIKey is JSLXOGCQTPGBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-14-13(12-8-4-3-5-9-12)15(19-17-14)18-10-6-1-2-7-11-18/h3-5,8-9H,1-2,6-7,10-11H2,(H2,16,17).
What are the key properties of 5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine?
5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine has a molecular weight of 273.40 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-4-phenyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103381127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).