N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide

C9H14N4OS — CID 43596330

IUPACN-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide
SMILESO=C(NCCCNC1CC1)c1cnns1
InChIInChI=1S/C9H14N4OS/c14-9(8-6-12-13-15-8)11-5-1-4-10-7-2-3-7/h6-7,10H,1-5H2,(H,11,14)
InChIKeyUNJYIWCLHTXWHL-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.41
Rot. Bonds6

About N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide

N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide (PubChem CID 43596330) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide
PubChem CID43596330
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide
SMILESO=C(NCCCNC1CC1)c1cnns1
InChIInChI=1S/C9H14N4OS/c14-9(8-6-12-13-15-8)11-5-1-4-10-7-2-3-7/h6-7,10H,1-5H2,(H,11,14)
InChIKeyUNJYIWCLHTXWHL-UHFFFAOYSA-N
XLogP0.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.41
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide (CID 43596330) is N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide is O=C(NCCCNC1CC1)c1cnns1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide?
The InChIKey is UNJYIWCLHTXWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c14-9(8-6-12-13-15-8)11-5-1-4-10-7-2-3-7/h6-7,10H,1-5H2,(H,11,14).
What are the key properties of N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide?
N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 43596330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).