(2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate

C12H10ClNO2S — CID 1479747

IUPAC(2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2cnc(Cl)s2)c1
InChIInChI=1S/C12H10ClNO2S/c1-8-3-2-4-9(5-8)11(15)16-7-10-6-14-12(13)17-10/h2-6H,7H2,1H3
InChIKeyCGLOSNMQPUEYPK-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.46
Rot. Bonds3

About (2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate

(2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate (PubChem CID 1479747) has the molecular formula C12H10ClNO2S and a molecular weight of 267.74 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate
PubChem CID1479747
Molecular FormulaC12H10ClNO2S
Molecular Weight267.74 g/mol
Exact Mass267.01
IUPAC Name(2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2cnc(Cl)s2)c1
InChIInChI=1S/C12H10ClNO2S/c1-8-3-2-4-9(5-8)11(15)16-7-10-6-14-12(13)17-10/h2-6H,7H2,1H3
InChIKeyCGLOSNMQPUEYPK-UHFFFAOYSA-N
XLogP3.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-1,3-thiazol-5-yl)methyl 4-iodobenzoate
CID 1479754
2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane
CID 145486679
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
N-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylbenzamide
CID 168582686
(2-chloro-1,3-thiazol-5-yl)methyl carbamate
CID 126697211
hydroxymethyl 3-methylbenzoate
CID 54320661
(2-phenyl-1,3-thiazol-5-yl)methyl 3-acetamidobenzoate
CID 78760953
(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-methylbenzoate
CID 20946297
methylaminomethyl 3-methylbenzoate
CID 143511413
(3-methylphenyl)methyl 3-hydroxybenzoate
CID 44587285
naphthalen-2-ylmethyl 3-methylbenzoate
CID 976134
(4-cyanophenyl)methyl 3-methylbenzoate
CID 2563042

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate?
The IUPAC name of (2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate (CID 1479747) is (2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate.
What is the SMILES notation for (2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate?
The canonical SMILES for (2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate is Cc1cccc(C(=O)OCc2cnc(Cl)s2)c1.
What is the InChIKey of (2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate?
The InChIKey is CGLOSNMQPUEYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2S/c1-8-3-2-4-9(5-8)11(15)16-7-10-6-14-12(13)17-10/h2-6H,7H2,1H3.
What are the key properties of (2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate?
(2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate has a molecular weight of 267.74 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-5-yl)methyl 3-methylbenzoate is sourced from PubChem (CID 1479747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).