2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate

C10H9ClN2O2S2 — CID 108742123

IUPAC2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nc(-c2cccs2)cs1)OCCCl
InChIInChI=1S/C10H9ClN2O2S2/c11-3-4-15-10(14)13-9-12-7(6-17-9)8-2-1-5-16-8/h1-2,5-6H,3-4H2,(H,12,13,14)
InChIKeyBVWIDYPSHDHRHW-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.66
Rot. Bonds4

About 2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate

2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate (PubChem CID 108742123) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate
PubChem CID108742123
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nc(-c2cccs2)cs1)OCCCl
InChIInChI=1S/C10H9ClN2O2S2/c11-3-4-15-10(14)13-9-12-7(6-17-9)8-2-1-5-16-8/h1-2,5-6H,3-4H2,(H,12,13,14)
InChIKeyBVWIDYPSHDHRHW-UHFFFAOYSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 108744063
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2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid
CID 3068159
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
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2,2,3,3-tetramethyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 23944638
2-(3,4-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915774
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
4-[bis(2-chloroethyl)sulfamoyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 86809667
2,2-dimethyl-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 56763088
2,5-dichloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4200224
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263
2-(2-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2080859

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of 2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate (CID 108742123) is 2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for 2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for 2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate is O=C(Nc1nc(-c2cccs2)cs1)OCCCl.
What is the InChIKey of 2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate?
The InChIKey is BVWIDYPSHDHRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c11-3-4-15-10(14)13-9-12-7(6-17-9)8-2-1-5-16-8/h1-2,5-6H,3-4H2,(H,12,13,14).
What are the key properties of 2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate?
2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate has a molecular weight of 288.78 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 108742123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).