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

C11H12N2S — CID 2795495

IUPAC(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
SMILESCc1nc(-c2ccccc2)sc1CN
InChIInChI=1S/C11H12N2S/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7,12H2,1H3
InChIKeySBCPMNJUNGLHNL-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.58
Rot. Bonds2

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

(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine (PubChem CID 2795495) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
PubChem CID2795495
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
SMILESCc1nc(-c2ccccc2)sc1CN
InChIInChI=1S/C11H12N2S/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7,12H2,1H3
InChIKeySBCPMNJUNGLHNL-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine
CID 106849619
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
CID 62403368
[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine
CID 137013301
[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82800650
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 119316963
N,N-diethyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)acetamide
CID 110328872
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887194
5-[(dimethylsulfamoylamino)methyl]-4-methyl-2-phenyl-1,3-thiazole
CID 121121685
2-(4-methyl-2-naphthalen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 79154712
[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine
CID 65197733
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-ol
CID 110921340

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine (CID 2795495) is (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine is Cc1nc(-c2ccccc2)sc1CN.
What is the InChIKey of (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is SBCPMNJUNGLHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7,12H2,1H3.
What are the key properties of (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine?
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 204.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 2795495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).