N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide

C8H10ClN3OS — CID 65215758

IUPACN-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide
SMILESO=C(c1csnn1)N(CCCl)C1CC1
InChIInChI=1S/C8H10ClN3OS/c9-3-4-12(6-1-2-6)8(13)7-5-14-11-10-7/h5-6H,1-4H2
InChIKeyAMSAWHIQCYJHDV-UHFFFAOYSA-N
MW231.71 g/mol
LogP1.38
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide

N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide (PubChem CID 65215758) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide
PubChem CID65215758
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC NameN-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide
SMILESO=C(c1csnn1)N(CCCl)C1CC1
InChIInChI=1S/C8H10ClN3OS/c9-3-4-12(6-1-2-6)8(13)7-5-14-11-10-7/h5-6H,1-4H2
InChIKeyAMSAWHIQCYJHDV-UHFFFAOYSA-N
XLogP1.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide (CID 65215758) is N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide is O=C(c1csnn1)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide?
The InChIKey is AMSAWHIQCYJHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-3-4-12(6-1-2-6)8(13)7-5-14-11-10-7/h5-6H,1-4H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide?
N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide has a molecular weight of 231.71 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide is sourced from PubChem (CID 65215758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).