[2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine

C14H14N4S — CID 82903660

IUPAC[2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCn1cncc1-c1nc(-c2ccccc2)c(CN)s1
InChIInChI=1S/C14H14N4S/c1-18-9-16-8-11(18)14-17-13(12(7-15)19-14)10-5-3-2-4-6-10/h2-6,8-9H,7,15H2,1H3
InChIKeyFFVINVLPOPNAJO-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.67
Rot. Bonds3

About [2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine

[2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82903660) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is [2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
PubChem CID82903660
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name[2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCn1cncc1-c1nc(-c2ccccc2)c(CN)s1
InChIInChI=1S/C14H14N4S/c1-18-9-16-8-11(18)14-17-13(12(7-15)19-14)10-5-3-2-4-6-10/h2-6,8-9H,7,15H2,1H3
InChIKeyFFVINVLPOPNAJO-UHFFFAOYSA-N
XLogP2.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine (CID 82903660) is [2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine is Cn1cncc1-c1nc(-c2ccccc2)c(CN)s1.
What is the InChIKey of [2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is FFVINVLPOPNAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-18-9-16-8-11(18)14-17-13(12(7-15)19-14)10-5-3-2-4-6-10/h2-6,8-9H,7,15H2,1H3.
What are the key properties of [2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
[2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 270.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82903660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).