3-phenyl-1,2-thiazol-5-amine

C9H8N2S — CID 12603879

IUPAC3-phenyl-1,2-thiazol-5-amine
SMILESNc1cc(-c2ccccc2)ns1
InChIInChI=1S/C9H8N2S/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2
InChIKeyDHGKYVMNSHRALD-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.39
Rot. Bonds1

About 3-phenyl-1,2-thiazol-5-amine

3-phenyl-1,2-thiazol-5-amine (PubChem CID 12603879) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 3-phenyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-phenyl-1,2-thiazol-5-amine
PubChem CID12603879
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name3-phenyl-1,2-thiazol-5-amine
SMILESNc1cc(-c2ccccc2)ns1
InChIInChI=1S/C9H8N2S/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2
InChIKeyDHGKYVMNSHRALD-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-phenyl-1,2-thiazole
CID 600269
2,1-Benzothiazol-3-amine
CID 12293058
(3-Phenyl-1,2-thiazol-5-yl)methanamine
CID 65814892
(3-Methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 44457760
3-Phenylisothiazole
CID 595044
3,5-Diphenyl-1,2-thiazole
CID 12234748
3-Phenyl-1,2-thiazol-4-amine
CID 13612539
5-Phenylisothiazol-3-amine
CID 21271867
2-(1,2-Benzothiazol-3-yl)ethan-1-amine
CID 10375969
N-(3-phenyl-1,2-thiazol-5-yl)prop-2-enamide
CID 137934754
3-Ethyl-5-phenyl-1,2-thiazole
CID 10035412
5-Amino-3-methyl-1,2-benzisothiazole
CID 1501869

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,2-thiazol-5-amine?
The IUPAC name of 3-phenyl-1,2-thiazol-5-amine (CID 12603879) is 3-phenyl-1,2-thiazol-5-amine.
What is the SMILES notation for 3-phenyl-1,2-thiazol-5-amine?
The canonical SMILES for 3-phenyl-1,2-thiazol-5-amine is Nc1cc(-c2ccccc2)ns1.
What is the InChIKey of 3-phenyl-1,2-thiazol-5-amine?
The InChIKey is DHGKYVMNSHRALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2.
What are the key properties of 3-phenyl-1,2-thiazol-5-amine?
3-phenyl-1,2-thiazol-5-amine has a molecular weight of 176.24 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2-thiazol-5-amine is sourced from PubChem (CID 12603879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).