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

C14H13N3OS — CID 102707145

IUPAC[4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCc1oncc1-c1cnc(-c2ccc(CN)cc2)s1
InChIInChI=1S/C14H13N3OS/c1-9-12(7-17-18-9)13-8-16-14(19-13)11-4-2-10(6-15)3-5-11/h2-5,7-8H,6,15H2,1H3
InChIKeyWIBWCXKRHGMVRQ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.23
Rot. Bonds3

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

[4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine (PubChem CID 102707145) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is [4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine
PubChem CID102707145
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name[4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine
SMILESCc1oncc1-c1cnc(-c2ccc(CN)cc2)s1
InChIInChI=1S/C14H13N3OS/c1-9-12(7-17-18-9)13-8-16-14(19-13)11-4-2-10(6-15)3-5-11/h2-5,7-8H,6,15H2,1H3
InChIKeyWIBWCXKRHGMVRQ-UHFFFAOYSA-N
XLogP3.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine (CID 102707145) is [4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine is Cc1oncc1-c1cnc(-c2ccc(CN)cc2)s1.
What is the InChIKey of [4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine?
The InChIKey is WIBWCXKRHGMVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-12(7-17-18-9)13-8-16-14(19-13)11-4-2-10(6-15)3-5-11/h2-5,7-8H,6,15H2,1H3.
What are the key properties of [4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine?
[4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine has a molecular weight of 271.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-methyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 102707145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).