(4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

C12H11ClN2O2S — CID 78915343

IUPAC(4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCc1nsc(N)c1C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O2S/c1-7-10(11(14)18-15-7)12(16)17-6-8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3
InChIKeyKFOGMNWHQZLMCI-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.04
Rot. Bonds3

About (4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

(4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 78915343) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID78915343
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name(4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCc1nsc(N)c1C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O2S/c1-7-10(11(14)18-15-7)12(16)17-6-8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3
InChIKeyKFOGMNWHQZLMCI-UHFFFAOYSA-N
XLogP3.04
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-4-[(4-chlorophenoxy)methyl]benzamide
CID 9392764
dibenzyl 3-methyl-1,2-thiazole-4,5-dicarboxylate
CID 134511518
propyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 112723364
[2-(3,4-difluoroanilino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 8646640
2-propan-2-yloxyethyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 79391240
(4-chlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706084
(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 6459752
(4-chlorophenyl)methyl 2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 55522061
4-O-[(4-chlorophenyl)methyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7198663
5-[[2-(4-chlorophenyl)acetyl]-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397342
(4-chlorophenyl)methyl 3,4-dichlorobenzoate
CID 977859
(4-chlorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753128

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (CID 78915343) is (4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is Cc1nsc(N)c1C(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is KFOGMNWHQZLMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-7-10(11(14)18-15-7)12(16)17-6-8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3.
What are the key properties of (4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
(4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 282.75 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 78915343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).