(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine

C11H12N2S — CID 19104068

IUPAC(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine
SMILESCc1csc(C(N)c2ccccc2)n1
InChIInChI=1S/C11H12N2S/c1-8-7-14-11(13-8)10(12)9-5-3-2-4-6-9/h2-7,10H,12H2,1H3
InChIKeyTUHLDLXNTQTBCO-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.50
Rot. Bonds2

About (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine

(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine (PubChem CID 19104068) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine
PubChem CID19104068
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine
SMILESCc1csc(C(N)c2ccccc2)n1
InChIInChI=1S/C11H12N2S/c1-8-7-14-11(13-8)10(12)9-5-3-2-4-6-9/h2-7,10H,12H2,1H3
InChIKeyTUHLDLXNTQTBCO-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine?
The IUPAC name of (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine (CID 19104068) is (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine.
What is the SMILES notation for (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine?
The canonical SMILES for (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine is Cc1csc(C(N)c2ccccc2)n1.
What is the InChIKey of (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine?
The InChIKey is TUHLDLXNTQTBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-7-14-11(13-8)10(12)9-5-3-2-4-6-9/h2-7,10H,12H2,1H3.
What are the key properties of (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine?
(4-methyl-1,3-thiazol-2-yl)-phenylmethanamine has a molecular weight of 204.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-2-yl)-phenylmethanamine is sourced from PubChem (CID 19104068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).