4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine

C17H17ClN6S — CID 135795487

IUPAC4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(N/N=C/c2sc(Nc3ccccc3C)nc2Cl)n1
InChIInChI=1S/C17H17ClN6S/c1-10-6-4-5-7-13(10)22-17-23-15(18)14(25-17)9-19-24-16-20-11(2)8-12(3)21-16/h4-9H,1-3H3,(H,22,23)(H,20,21,24)/b19-9+
InChIKeyQOZSAEKGXQRCFX-DJKKODMXSA-N
MW372.89 g/mol
LogP4.70
Rot. Bonds5

About 4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine

4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 135795487) has the molecular formula C17H17ClN6S and a molecular weight of 372.89 g/mol. Its IUPAC name is 4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine
PubChem CID135795487
Molecular FormulaC17H17ClN6S
Molecular Weight372.89 g/mol
Exact Mass372.09
IUPAC Name4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)nc(N/N=C/c2sc(Nc3ccccc3C)nc2Cl)n1
InChIInChI=1S/C17H17ClN6S/c1-10-6-4-5-7-13(10)22-17-23-15(18)14(25-17)9-19-24-16-20-11(2)8-12(3)21-16/h4-9H,1-3H3,(H,22,23)(H,20,21,24)/b19-9+
InChIKeyQOZSAEKGXQRCFX-DJKKODMXSA-N
XLogP4.70
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-chloro-2-(2-methylanilino)-1,3-thiazol-5-yl]methylideneamino]furan-2-carboxamide
CID 135795534
4-chloro-N-(2-methoxyphenyl)-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,3-thiazol-2-amine
CID 135795531
N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4077407
4-chloro-N-phenyl-5-[(E)-[(2,3,5,6-tetrafluorophenyl)hydrazinylidene]methyl]-1,3-thiazol-2-amine
CID 135576309
tert-butyl N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]carbamate
CID 135795523
N'-[(E)-[4-chloro-2-(2-chloroanilino)-1,3-thiazol-5-yl]methylideneamino]-N-propan-2-yloxamide
CID 135575856
N-[(E)-[4-chloro-2-(2-methoxyanilino)-1,3-thiazol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 135795602
methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
CID 60823388
2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 6018685
1-[(E)-(2-anilino-4-chloro-1,3-thiazol-5-yl)methylideneamino]-3-propan-2-ylthiourea
CID 135612521
4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine
CID 42994964
N-[2-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 2334192

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine (CID 135795487) is 4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine is Cc1cc(C)nc(N/N=C/c2sc(Nc3ccccc3C)nc2Cl)n1.
What is the InChIKey of 4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is QOZSAEKGXQRCFX-DJKKODMXSA-N. The full InChI is InChI=1S/C17H17ClN6S/c1-10-6-4-5-7-13(10)22-17-23-15(18)14(25-17)9-19-24-16-20-11(2)8-12(3)21-16/h4-9H,1-3H3,(H,22,23)(H,20,21,24)/b19-9+.
What are the key properties of 4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine?
4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 372.89 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-N-(2-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 135795487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).