5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C9H10N2S — CID 13402118

IUPAC5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NCC(c2ccccc2)S1
InChIInChI=1S/C9H10N2S/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
InChIKeyFWZFDUITLQPZHV-UHFFFAOYSA-N
MW178.26 g/mol
LogP1.79
Rot. Bonds1

About 5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 13402118) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID13402118
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NCC(c2ccccc2)S1
InChIInChI=1S/C9H10N2S/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
InChIKeyFWZFDUITLQPZHV-UHFFFAOYSA-N
XLogP1.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 13402118) is 5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is NC1=NCC(c2ccccc2)S1.
What is the InChIKey of 5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FWZFDUITLQPZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11).
What are the key properties of 5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 178.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 13402118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).