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

C16H13ClN2O2S — CID 108733446

IUPAC2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)OCCCl
InChIInChI=1S/C16H13ClN2O2S/c17-7-8-21-16(20)19-15-18-14(10-22-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9-10H,7-8H2,(H,18,19,20)
InChIKeyMHNBCCKXEIDMMM-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.75
Rot. Bonds4

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

2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate (PubChem CID 108733446) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
PubChem CID108733446
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)OCCCl
InChIInChI=1S/C16H13ClN2O2S/c17-7-8-21-16(20)19-15-18-14(10-22-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9-10H,7-8H2,(H,18,19,20)
InChIKeyMHNBCCKXEIDMMM-UHFFFAOYSA-N
XLogP4.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733444
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
2-chloroethyl N-(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108742123
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
2-(4-methoxyphenoxy)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7917274
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 4670765

Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of 2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate (CID 108733446) is 2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for 2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for 2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)OCCCl.
What is the InChIKey of 2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate?
The InChIKey is MHNBCCKXEIDMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c17-7-8-21-16(20)19-15-18-14(10-22-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9-10H,7-8H2,(H,18,19,20).
What are the key properties of 2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate?
2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate has a molecular weight of 332.81 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 108733446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).