methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate

C15H12ClN3O2S2 — CID 133331356

IUPACmethyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCc2csc(-c3ccccc3)n2)nc1Cl
InChIInChI=1S/C15H12ClN3O2S2/c1-21-14(20)11-12(16)19-15(23-11)17-7-10-8-22-13(18-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyOYZVOVVOMYXBKN-UHFFFAOYSA-N
MW365.87 g/mol
LogP4.32
Rot. Bonds5

About methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate (PubChem CID 133331356) has the molecular formula C15H12ClN3O2S2 and a molecular weight of 365.87 g/mol. Its IUPAC name is methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
PubChem CID133331356
Molecular FormulaC15H12ClN3O2S2
Molecular Weight365.87 g/mol
Exact Mass365.01
IUPAC Namemethyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCc2csc(-c3ccccc3)n2)nc1Cl
InChIInChI=1S/C15H12ClN3O2S2/c1-21-14(20)11-12(16)19-15(23-11)17-7-10-8-22-13(18-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyOYZVOVVOMYXBKN-UHFFFAOYSA-N
XLogP4.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl 4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylate
CID 47370694
methyl 4-chloro-2-(furan-3-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 115620876
5-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133331350
methyl 4-chloro-2-(2-methylanilino)-1,3-thiazole-5-carboxylate
CID 60823388
methyl 4-chloro-2-[(3-cyanophenyl)methylamino]-1,3-thiazole-5-carboxylate
CID 47370605
methyl 4-chloro-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylate
CID 78962826
methyl 4-chloro-2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1,3-thiazole-5-carboxylate
CID 133327857
methyl 4-chloro-2-[[4-(cyclopropylcarbamoyl)phenyl]methylamino]-1,3-thiazole-5-carboxylate
CID 47485169
3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133331317
methyl 4-chloro-2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 133406034
methyl 4-chloro-2-(1H-imidazol-2-ylmethylamino)-1,3-thiazole-5-carboxylate
CID 103918059
methyl 4-chloro-2-(2-methylprop-2-enylamino)-1,3-thiazole-5-carboxylate
CID 104952855

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate (CID 133331356) is methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NCc2csc(-c3ccccc3)n2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is OYZVOVVOMYXBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S2/c1-21-14(20)11-12(16)19-15(23-11)17-7-10-8-22-13(18-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,19).
What are the key properties of methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 365.87 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 133331356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).