(2-phenyl-1,3-thiazol-5-yl)methanamine

C10H10N2S — CID 595758

IUPAC(2-phenyl-1,3-thiazol-5-yl)methanamine
SMILESNCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C10H10N2S/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,7H,6,11H2
InChIKeyPKLIUDDDCZOCFU-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.27
Rot. Bonds2

About (2-phenyl-1,3-thiazol-5-yl)methanamine

(2-phenyl-1,3-thiazol-5-yl)methanamine (PubChem CID 595758) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)methanamine
PubChem CID595758
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)methanamine
SMILESNCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C10H10N2S/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,7H,6,11H2
InChIKeyPKLIUDDDCZOCFU-UHFFFAOYSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methanamine (CID 595758) is (2-phenyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)methanamine is NCc1cnc(-c2ccccc2)s1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is PKLIUDDDCZOCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,7H,6,11H2.
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)methanamine?
(2-phenyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 190.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 595758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).