methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate

C12H10ClNO2S — CID 174844080

IUPACmethyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Cl)nc1-c1ccccc1C
InChIInChI=1S/C12H10ClNO2S/c1-7-5-3-4-6-8(7)9-10(11(15)16-2)17-12(13)14-9/h3-6H,1-2H3
InChIKeyKHVYYNNFAUULPI-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.56
Rot. Bonds2

About methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate

methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate (PubChem CID 174844080) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate
PubChem CID174844080
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Namemethyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Cl)nc1-c1ccccc1C
InChIInChI=1S/C12H10ClNO2S/c1-7-5-3-4-6-8(7)9-10(11(15)16-2)17-12(13)14-9/h3-6H,1-2H3
InChIKeyKHVYYNNFAUULPI-UHFFFAOYSA-N
XLogP3.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate (CID 174844080) is methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Cl)nc1-c1ccccc1C.
What is the InChIKey of methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is KHVYYNNFAUULPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-7-5-3-4-6-8(7)9-10(11(15)16-2)17-12(13)14-9/h3-6H,1-2H3.
What are the key properties of methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate?
methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 267.74 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-4-(2-methylphenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 174844080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).