N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide

C14H24N4OS — CID 50956653

IUPACN-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide
SMILESCC(C)N(CCN1CCCCCC1)C(=O)c1csnn1
InChIInChI=1S/C14H24N4OS/c1-12(2)18(14(19)13-11-20-16-15-13)10-9-17-7-5-3-4-6-8-17/h11-12H,3-10H2,1-2H3
InChIKeyRUULGPUFJBDRMR-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide

N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide (PubChem CID 50956653) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide
PubChem CID50956653
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide
SMILESCC(C)N(CCN1CCCCCC1)C(=O)c1csnn1
InChIInChI=1S/C14H24N4OS/c1-12(2)18(14(19)13-11-20-16-15-13)10-9-17-7-5-3-4-6-8-17/h11-12H,3-10H2,1-2H3
InChIKeyRUULGPUFJBDRMR-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide (CID 50956653) is N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide is CC(C)N(CCN1CCCCCC1)C(=O)c1csnn1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide?
The InChIKey is RUULGPUFJBDRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-12(2)18(14(19)13-11-20-16-15-13)10-9-17-7-5-3-4-6-8-17/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide?
N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-N-propan-2-ylthiadiazole-4-carboxamide is sourced from PubChem (CID 50956653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).