(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine

C11H12N2S — CID 10130445

IUPAC(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
SMILESCc1ncsc1[C@@H](N)c1ccccc1
InChIInChI=1S/C11H12N2S/c1-8-11(14-7-13-8)10(12)9-5-3-2-4-6-9/h2-7,10H,12H2,1H3/t10-/m0/s1
InChIKeyVDKZCTMYVCPCSU-JTQLQIEISA-N
MW204.30 g/mol
LogP2.50
Rot. Bonds2

About (S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine

(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine (PubChem CID 10130445) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is (S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine.

Molecular Properties

Compound Name(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
PubChem CID10130445
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
SMILESCc1ncsc1[C@@H](N)c1ccccc1
InChIInChI=1S/C11H12N2S/c1-8-11(14-7-13-8)10(12)9-5-3-2-4-6-9/h2-7,10H,12H2,1H3/t10-/m0/s1
InChIKeyVDKZCTMYVCPCSU-JTQLQIEISA-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

Analyze (S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105090551
1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine
CID 105084585
(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105141195
(4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145408
(4-methylthiadiazol-5-yl)-phenylmethanamine
CID 105084242
5-[isocyanato(phenyl)methyl]-4-methyl-1,3-thiazole
CID 88888857
(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 103134636
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
propan-2-yloxymethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylacetate
CID 174822877
1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 105168486
cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106657133

Frequently Asked Questions

What is the IUPAC name of (S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine?
The IUPAC name of (S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine (CID 10130445) is (S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine.
What is the SMILES notation for (S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine?
The canonical SMILES for (S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine is Cc1ncsc1[C@@H](N)c1ccccc1.
What is the InChIKey of (S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine?
The InChIKey is VDKZCTMYVCPCSU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-11(14-7-13-8)10(12)9-5-3-2-4-6-9/h2-7,10H,12H2,1H3/t10-/m0/s1.
What are the key properties of (S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine?
(S)-(4-methyl-1,3-thiazol-5-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 (S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine is sourced from PubChem (CID 10130445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).