methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate

C17H17ClN4O2S — CID 75400019

IUPACmethyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate
SMILESCCC(Nc1nc(Cl)c(C(=O)OC)s1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H17ClN4O2S/c1-3-11(21-17-22-14(18)13(25-17)16(23)24-2)15-19-9-12(20-15)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyUPMAYGPLEOAWJH-UHFFFAOYSA-N
MW376.87 g/mol
LogP4.54
Rot. Bonds6

About methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate (PubChem CID 75400019) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate
PubChem CID75400019
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Namemethyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate
SMILESCCC(Nc1nc(Cl)c(C(=O)OC)s1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H17ClN4O2S/c1-3-11(21-17-22-14(18)13(25-17)16(23)24-2)15-19-9-12(20-15)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyUPMAYGPLEOAWJH-UHFFFAOYSA-N
XLogP4.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate (CID 75400019) is methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate is CCC(Nc1nc(Cl)c(C(=O)OC)s1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is UPMAYGPLEOAWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-3-11(21-17-22-14(18)13(25-17)16(23)24-2)15-19-9-12(20-15)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 376.87 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[1-(5-phenyl-1H-imidazol-2-yl)propylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 75400019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).