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

C9H8N2S — CID 47002767

IUPAC4-phenyl-1,3-thiazol-5-amine
SMILESNc1scnc1-c1ccccc1
InChIInChI=1S/C9H8N2S/c10-9-8(11-6-12-9)7-4-2-1-3-5-7/h1-6H,10H2
InChIKeyFWBPWYBJDHHKRC-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.39
Rot. Bonds1

About 4-phenyl-1,3-thiazol-5-amine

4-phenyl-1,3-thiazol-5-amine (PubChem CID 47002767) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 4-phenyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-phenyl-1,3-thiazol-5-amine
PubChem CID47002767
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name4-phenyl-1,3-thiazol-5-amine
SMILESNc1scnc1-c1ccccc1
InChIInChI=1S/C9H8N2S/c10-9-8(11-6-12-9)7-4-2-1-3-5-7/h1-6H,10H2
InChIKeyFWBPWYBJDHHKRC-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

Thiazole, 4-phenyl-
CID 74581
(2-Phenyl-1,3-thiazol-4-yl)methanamine
CID 736526
(4-(4-Methyl-1,3-thiazol-5-yl)phenyl)methanamine
CID 89689879
(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
CID 3506452
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine
CID 600157
N5-Methyl-4-phenyl-2,5-thiazolediamine
CID 44385078
4,5-Diphenyl-1,3-thiazole
CID 837859
2-Phenyl-1,3-thiazol-5-amine
CID 13152222
4-(1,3-Thiazol-4-Yl)Aniline
CID 21793169
Methyl[(2-phenyl-1,3-thiazol-4-yl)methyl]amine
CID 26248854
4-Methyl-2-phenyl-1,3-thiazol-5-amine
CID 62076990
Thiazole, 4-(2-fluorophenyl)-
CID 4683730

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-thiazol-5-amine?
The IUPAC name of 4-phenyl-1,3-thiazol-5-amine (CID 47002767) is 4-phenyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-phenyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-phenyl-1,3-thiazol-5-amine is Nc1scnc1-c1ccccc1.
What is the InChIKey of 4-phenyl-1,3-thiazol-5-amine?
The InChIKey is FWBPWYBJDHHKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c10-9-8(11-6-12-9)7-4-2-1-3-5-7/h1-6H,10H2.
What are the key properties of 4-phenyl-1,3-thiazol-5-amine?
4-phenyl-1,3-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 4-phenyl-1,3-thiazol-5-amine is sourced from PubChem (CID 47002767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).