4-(2-methylphenyl)-4H-1,3-thiazin-2-amine

C11H12N2S — CID 86129491

IUPAC4-(2-methylphenyl)-4H-1,3-thiazin-2-amine
SMILESCc1ccccc1C1C=CSC(N)=N1
InChIInChI=1S/C11H12N2S/c1-8-4-2-3-5-9(8)10-6-7-14-11(12)13-10/h2-7,10H,1H3,(H2,12,13)
InChIKeyXWXIOLUHGKSUPA-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.61
Rot. Bonds1

About 4-(2-methylphenyl)-4H-1,3-thiazin-2-amine

4-(2-methylphenyl)-4H-1,3-thiazin-2-amine (PubChem CID 86129491) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4-(2-methylphenyl)-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-4H-1,3-thiazin-2-amine
PubChem CID86129491
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4-(2-methylphenyl)-4H-1,3-thiazin-2-amine
SMILESCc1ccccc1C1C=CSC(N)=N1
InChIInChI=1S/C11H12N2S/c1-8-4-2-3-5-9(8)10-6-7-14-11(12)13-10/h2-7,10H,1H3,(H2,12,13)
InChIKeyXWXIOLUHGKSUPA-UHFFFAOYSA-N
XLogP2.61
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174394947
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(3R)-3-(2-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
CID 886630
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CID 142322094
1-cyclopropyl-5-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79509098
6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 82294455
2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole
CID 145064414
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
1-cyclopropyl-2-(2-methylphenyl)cyclopropan-1-amine
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sodium;hydride;1,2-xylene
CID 173009635

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-(2-methylphenyl)-4H-1,3-thiazin-2-amine (CID 86129491) is 4-(2-methylphenyl)-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-(2-methylphenyl)-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-(2-methylphenyl)-4H-1,3-thiazin-2-amine is Cc1ccccc1C1C=CSC(N)=N1.
What is the InChIKey of 4-(2-methylphenyl)-4H-1,3-thiazin-2-amine?
The InChIKey is XWXIOLUHGKSUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-4-2-3-5-9(8)10-6-7-14-11(12)13-10/h2-7,10H,1H3,(H2,12,13).
What are the key properties of 4-(2-methylphenyl)-4H-1,3-thiazin-2-amine?
4-(2-methylphenyl)-4H-1,3-thiazin-2-amine has a molecular weight of 204.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 86129491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).