ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate

C12H11ClN2O2S — CID 3624682

IUPACethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H11ClN2O2S/c1-2-17-12(16)15-11-14-10(7-18-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyFTLFCGJITLQSLV-UHFFFAOYSA-N
MW282.75 g/mol
LogP4.03
Rot. Bonds3

About ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate

ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 3624682) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
PubChem CID3624682
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Nameethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H11ClN2O2S/c1-2-17-12(16)15-11-14-10(7-18-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyFTLFCGJITLQSLV-UHFFFAOYSA-N
XLogP4.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
ethyl 2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 58791720
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
ethyl 4-[2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 2334522
ethyl 2-bromo-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetate
CID 86718617
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521362
(Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-4-oxobut-2-enoic acid
CID 7223548
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
(1R,6R)-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996347
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 17282538

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate (CID 3624682) is ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate is CCOC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is FTLFCGJITLQSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-2-17-12(16)15-11-14-10(7-18-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate?
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 282.75 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 3624682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).