4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide

C11H18ClN3OS — CID 65207586

IUPAC4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide
SMILESCCN(CCCl)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H18ClN3OS/c1-5-15(7-6-12)10(16)8-9(11(2,3)4)13-14-17-8/h5-7H2,1-4H3
InChIKeyRBRDGPBXQOBEIY-UHFFFAOYSA-N
MW275.81 g/mol
LogP2.54
Rot. Bonds4

About 4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide

4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide (PubChem CID 65207586) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide
PubChem CID65207586
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide
SMILESCCN(CCCl)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H18ClN3OS/c1-5-15(7-6-12)10(16)8-9(11(2,3)4)13-14-17-8/h5-7H2,1-4H3
InChIKeyRBRDGPBXQOBEIY-UHFFFAOYSA-N
XLogP2.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide
CID 65210557
4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
CID 65210106
4-tert-butyl-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492285
N-(2-chloroethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 65198931
4-tert-butyl-N-(2-cyanopropyl)-N-ethylthiadiazole-5-carboxamide
CID 65205413
4-tert-butyl-N-(3-chloropropyl)-N-cyclobutylthiadiazole-5-carboxamide
CID 102871890
N-(2-aminoethyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
CID 65210536
methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)-methylamino]acetate
CID 65207341
N-(azetidin-3-yl)-4-tert-butyl-N-propylthiadiazole-5-carboxamide
CID 66183103
N-(4-aminocyclohexyl)-4-tert-butyl-N-ethylthiadiazole-5-carboxamide
CID 79114769
N-(3-amino-4-methylpentyl)-4-tert-butyl-N-methylthiadiazole-5-carboxamide
CID 115317522
1-(4-tert-butylthiadiazol-5-yl)-2-ethylbutan-1-one
CID 105117394

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide (CID 65207586) is 4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide is CCN(CCCl)C(=O)c1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide?
The InChIKey is RBRDGPBXQOBEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c1-5-15(7-6-12)10(16)8-9(11(2,3)4)13-14-17-8/h5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide?
4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide has a molecular weight of 275.81 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-chloroethyl)-N-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65207586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).