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

C9H10N2S — CID 13196077

IUPAC4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NC(c2ccccc2)CS1
InChIInChI=1S/C9H10N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
InChIKeyVMXKVUZBDSURAV-UHFFFAOYSA-N
MW178.26 g/mol
LogP1.79
Rot. Bonds1

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

4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 13196077) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID13196077
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NC(c2ccccc2)CS1
InChIInChI=1S/C9H10N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
InChIKeyVMXKVUZBDSURAV-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 4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 13196077) is 4-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is NC1=NC(c2ccccc2)CS1.
What is the InChIKey of 4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VMXKVUZBDSURAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11).
What are the key properties of 4-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
4-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 4-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 13196077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).