N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride

C15H18Cl2N4S2 — CID 87535509

IUPACN-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride
SMILESCNc1ncc(CNc2nc(-c3ccc(C)cc3)cs2)s1.Cl.Cl
InChIInChI=1S/C15H16N4S2.2ClH/c1-10-3-5-11(6-4-10)13-9-20-15(19-13)18-8-12-7-17-14(16-2)21-12;;/h3-7,9H,8H2,1-2H3,(H,16,17)(H,18,19);2*1H
InChIKeyKITGLXLKRMPHFN-UHFFFAOYSA-N
MW389.38 g/mol
LogP5.07
Rot. Bonds5

About N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride

N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 87535509) has the molecular formula C15H18Cl2N4S2 and a molecular weight of 389.38 g/mol. Its IUPAC name is N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride
PubChem CID87535509
Molecular FormulaC15H18Cl2N4S2
Molecular Weight389.38 g/mol
Exact Mass388.03
IUPAC NameN-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride
SMILESCNc1ncc(CNc2nc(-c3ccc(C)cc3)cs2)s1.Cl.Cl
InChIInChI=1S/C15H16N4S2.2ClH/c1-10-3-5-11(6-4-10)13-9-20-15(19-13)18-8-12-7-17-14(16-2)21-12;;/h3-7,9H,8H2,1-2H3,(H,16,17)(H,18,19);2*1H
InChIKeyKITGLXLKRMPHFN-UHFFFAOYSA-N
XLogP5.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.38
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride 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

5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine
CID 25001418
N-benzyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine dichloride
CID 25000777
N-benzyl-5-[[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]methyl]-1,3-thiazol-2-amine;dihydrochloride
CID 87535658
N-[4-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166189059
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyanamide
CID 16653105
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82424450
4-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 17473672
N-methyl-4-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 86806465
4-(4-fluorophenyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 972745

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride (CID 87535509) is N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride is CNc1ncc(CNc2nc(-c3ccc(C)cc3)cs2)s1.Cl.Cl.
What is the InChIKey of N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is KITGLXLKRMPHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S2.2ClH/c1-10-3-5-11(6-4-10)13-9-20-15(19-13)18-8-12-7-17-14(16-2)21-12;;/h3-7,9H,8H2,1-2H3,(H,16,17)(H,18,19);2*1H.
What are the key properties of N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride?
N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 389.38 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 87535509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).