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

C11H12N2S — CID 18525747

IUPACN-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
SMILESCNCc1ccc(-c2nccs2)cc1
InChIInChI=1S/C11H12N2S/c1-12-8-9-2-4-10(5-3-9)11-13-6-7-14-11/h2-7,12H,8H2,1H3
InChIKeyYRTNMSLOSGSGPS-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.53
Rot. Bonds3

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

N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine (PubChem CID 18525747) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
PubChem CID18525747
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC NameN-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
SMILESCNCc1ccc(-c2nccs2)cc1
InChIInChI=1S/C11H12N2S/c1-12-8-9-2-4-10(5-3-9)11-13-6-7-14-11/h2-7,12H,8H2,1H3
InChIKeyYRTNMSLOSGSGPS-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine (CID 18525747) is N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine is CNCc1ccc(-c2nccs2)cc1.
What is the InChIKey of N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine?
The InChIKey is YRTNMSLOSGSGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-12-8-9-2-4-10(5-3-9)11-13-6-7-14-11/h2-7,12H,8H2,1H3.
What are the key properties of N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine?
N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine has a molecular weight of 204.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 18525747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).