4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine

C18H18N6S2 — CID 159379452

IUPAC4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine
SMILESCc1ccc(N)cc1Nc1nc(-c2cccnc2)cs1.Nc1nccs1
InChIInChI=1S/C15H14N4S.C3H4N2S/c1-10-4-5-12(16)7-13(10)18-15-19-14(9-20-15)11-3-2-6-17-8-11;4-3-5-1-2-6-3/h2-9H,16H2,1H3,(H,18,19);1-2H,(H2,4,5)
InChIKeyLKSJMJDPGFCAQA-UHFFFAOYSA-N
MW382.52 g/mol
LogP4.56
Rot. Bonds3

About 4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine

4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine (PubChem CID 159379452) has the molecular formula C18H18N6S2 and a molecular weight of 382.52 g/mol. Its IUPAC name is 4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine
PubChem CID159379452
Molecular FormulaC18H18N6S2
Molecular Weight382.52 g/mol
Exact Mass382.10
IUPAC Name4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine
SMILESCc1ccc(N)cc1Nc1nc(-c2cccnc2)cs1.Nc1nccs1
InChIInChI=1S/C15H14N4S.C3H4N2S/c1-10-4-5-12(16)7-13(10)18-15-19-14(9-20-15)11-3-2-6-17-8-11;4-3-5-1-2-6-3/h2-9H,16H2,1H3,(H,18,19);1-2H,(H2,4,5)
InChIKeyLKSJMJDPGFCAQA-UHFFFAOYSA-N
XLogP4.56
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.52
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-4-(trideuterio(113C)methyl)benzene-1,3-diamine
CID 91971706
4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059283
4-methyl-3-N-(5-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 87619876
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
1-(4-methylphenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 10432011
1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea
CID 57473566
CID 89305752
CID 89305752
3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 59651304
N-(2-ethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 746667
4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 10319726
1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide
CID 59789377
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine (CID 159379452) is 4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine is Cc1ccc(N)cc1Nc1nc(-c2cccnc2)cs1.Nc1nccs1.
What is the InChIKey of 4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine?
The InChIKey is LKSJMJDPGFCAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S.C3H4N2S/c1-10-4-5-12(16)7-13(10)18-15-19-14(9-20-15)11-3-2-6-17-8-11;4-3-5-1-2-6-3/h2-9H,16H2,1H3,(H,18,19);1-2H,(H2,4,5).
What are the key properties of 4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine?
4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine has a molecular weight of 382.52 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,3-diamine;1,3-thiazol-2-amine is sourced from PubChem (CID 159379452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).