3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine

C12H15N3S — CID 63842762

IUPAC3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
SMILESCc1ncsc1CN(C)c1cccc(N)c1
InChIInChI=1S/C12H15N3S/c1-9-12(16-8-14-9)7-15(2)11-5-3-4-10(13)6-11/h3-6,8H,7,13H2,1-2H3
InChIKeyBRFSWDSALPWTCQ-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.67
Rot. Bonds3

About 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine

3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine (PubChem CID 63842762) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
PubChem CID63842762
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
SMILESCc1ncsc1CN(C)c1cccc(N)c1
InChIInChI=1S/C12H15N3S/c1-9-12(16-8-14-9)7-15(2)11-5-3-4-10(13)6-11/h3-6,8H,7,13H2,1-2H3
InChIKeyBRFSWDSALPWTCQ-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 55262102
4-(aminomethyl)-3-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 115366884
3-N-methyl-3-N-(pyrimidin-2-ylmethyl)benzene-1,3-diamine
CID 62698436
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 104540410
6-[(1S)-1-aminoethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 83127064
N,3-dimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837321
2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80839437
6-chloro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,4-diamine
CID 104924252
4,5-difluoro-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 112751823
1-[2-bromo-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]ethanone
CID 114068684
3-N-methyl-3-N-[(2,4,5-trimethylphenyl)methyl]benzene-1,3-diamine
CID 117040974
2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79892726

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine (CID 63842762) is 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine is Cc1ncsc1CN(C)c1cccc(N)c1.
What is the InChIKey of 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine?
The InChIKey is BRFSWDSALPWTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-12(16-8-14-9)7-15(2)11-5-3-4-10(13)6-11/h3-6,8H,7,13H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine?
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine has a molecular weight of 233.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 63842762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).