4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide

C13H18N4OS — CID 65205566

IUPAC4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C13H18N4OS/c1-13(2,3)11-10(19-16-15-11)12(18)17(8-4-7-14)9-5-6-9/h9H,4-6,8H2,1-3H3
InChIKeyBWUJKQWKZMIRFQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.35
Rot. Bonds4

About 4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide

4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide (PubChem CID 65205566) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide
PubChem CID65205566
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C13H18N4OS/c1-13(2,3)11-10(19-16-15-11)12(18)17(8-4-7-14)9-5-6-9/h9H,4-6,8H2,1-3H3
InChIKeyBWUJKQWKZMIRFQ-UHFFFAOYSA-N
XLogP2.35
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide (CID 65205566) is 4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)N(CCC#N)C1CC1.
What is the InChIKey of 4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide?
The InChIKey is BWUJKQWKZMIRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-13(2,3)11-10(19-16-15-11)12(18)17(8-4-7-14)9-5-6-9/h9H,4-6,8H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide?
4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-cyanoethyl)-N-cyclopropylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).