N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide

C12H18N4OS — CID 65205515

IUPACN-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(CCC#N)C(C)C
InChIInChI=1S/C12H18N4OS/c1-4-6-10-11(18-15-14-10)12(17)16(9(2)3)8-5-7-13/h9H,4-6,8H2,1-3H3
InChIKeyCQHZABNCXOHPMX-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.25
Rot. Bonds6

About N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide

N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide (PubChem CID 65205515) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide
PubChem CID65205515
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(CCC#N)C(C)C
InChIInChI=1S/C12H18N4OS/c1-4-6-10-11(18-15-14-10)12(17)16(9(2)3)8-5-7-13/h9H,4-6,8H2,1-3H3
InChIKeyCQHZABNCXOHPMX-UHFFFAOYSA-N
XLogP2.25
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide (CID 65205515) is N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N(CCC#N)C(C)C.
What is the InChIKey of N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide?
The InChIKey is CQHZABNCXOHPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-4-6-10-11(18-15-14-10)12(17)16(9(2)3)8-5-7-13/h9H,4-6,8H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide?
N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-propan-2-yl-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).