N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide

C10H14N4OS — CID 65204910

IUPACN-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC(C#N)CC
InChIInChI=1S/C10H14N4OS/c1-3-5-8-9(16-14-13-8)10(15)12-7(4-2)6-11/h7H,3-5H2,1-2H3,(H,12,15)
InChIKeyMXPMATBWQMGERA-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.52
Rot. Bonds5

About N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide

N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 65204910) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide
PubChem CID65204910
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC NameN-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC(C#N)CC
InChIInChI=1S/C10H14N4OS/c1-3-5-8-9(16-14-13-8)10(15)12-7(4-2)6-11/h7H,3-5H2,1-2H3,(H,12,15)
InChIKeyMXPMATBWQMGERA-UHFFFAOYSA-N
XLogP1.52
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanoethyl)-4-ethylthiadiazole-5-carboxamide
CID 62046686
(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205940
(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 114004767
N-(5-chloropentan-2-yl)-4-propylthiadiazole-5-carboxamide
CID 114305945
N-(1-cyanocycloheptyl)-4-propylthiadiazole-5-carboxamide
CID 65205161
N-(1-cyanocyclooctyl)-4-propylthiadiazole-5-carboxamide
CID 65205363
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 65205384
N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide
CID 106153352
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874
N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 65205264
2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205844

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide (CID 65204910) is N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC(C#N)CC.
What is the InChIKey of N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is MXPMATBWQMGERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-3-5-8-9(16-14-13-8)10(15)12-7(4-2)6-11/h7H,3-5H2,1-2H3,(H,12,15).
What are the key properties of N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide?
N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).