N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide

C12H21N3O2S — CID 107843629

IUPACN-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCCCCCO
InChIInChI=1S/C12H21N3O2S/c1-2-7-10-11(18-15-14-10)12(17)13-8-5-3-4-6-9-16/h16H,2-9H2,1H3,(H,13,17)
InChIKeyIKEGNEWNSFSSIH-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.77
Rot. Bonds9

About N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide

N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 107843629) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
PubChem CID107843629
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCCCCCO
InChIInChI=1S/C12H21N3O2S/c1-2-7-10-11(18-15-14-10)12(17)13-8-5-3-4-6-9-16/h16H,2-9H2,1H3,(H,13,17)
InChIKeyIKEGNEWNSFSSIH-UHFFFAOYSA-N
XLogP1.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205051
N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide
CID 65210069
4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide
CID 106512269
N-(3-bromobutyl)-4-propylthiadiazole-5-carboxamide
CID 114312667
N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide
CID 114297929
4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide
CID 103800680
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65209885
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874
N-[[4-(chloromethyl)phenyl]methyl]-4-propylthiadiazole-5-carboxamide
CID 107233259
N-(3-bromo-4-methoxybutyl)-4-propylthiadiazole-5-carboxamide
CID 106244987

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide (CID 107843629) is N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is IKEGNEWNSFSSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-2-7-10-11(18-15-14-10)12(17)13-8-5-3-4-6-9-16/h16H,2-9H2,1H3,(H,13,17).
What are the key properties of N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide?
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 271.39 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 107843629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).