4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine

C12H15N3S — CID 103363729

IUPAC4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1ccc(CNc2snc(N)c2C)cc1
InChIInChI=1S/C12H15N3S/c1-8-3-5-10(6-4-8)7-14-12-9(2)11(13)15-16-12/h3-6,14H,7H2,1-2H3,(H2,13,15)
InChIKeyTXFDSNNOCYTCPP-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.95
Rot. Bonds3

About 4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine

4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103363729) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103363729
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1ccc(CNc2snc(N)c2C)cc1
InChIInChI=1S/C12H15N3S/c1-8-3-5-10(6-4-8)7-14-12-9(2)11(13)15-16-12/h3-6,14H,7H2,1-2H3,(H2,13,15)
InChIKeyTXFDSNNOCYTCPP-UHFFFAOYSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine
CID 103363458
4-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103361077
4-methyl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364171
4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359286
5-N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382558
5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 106901116
5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359711
5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365158
4-methyl-5-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359201
2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 25211898
5-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103365063
5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103363284

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine (CID 103363729) is 4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine is Cc1ccc(CNc2snc(N)c2C)cc1.
What is the InChIKey of 4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is TXFDSNNOCYTCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-3-5-10(6-4-8)7-14-12-9(2)11(13)15-16-12/h3-6,14H,7H2,1-2H3,(H2,13,15).
What are the key properties of 4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine?
4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 233.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).