N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide

C9H13N3OS — CID 143205358

IUPACN-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCCCC1CC1)c1nncs1
InChIInChI=1S/C9H13N3OS/c13-8(9-12-11-6-14-9)10-5-1-2-7-3-4-7/h6-7H,1-5H2,(H,10,13)
InChIKeyJXNXOAKHGYFXHI-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.46
Rot. Bonds5

About N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide

N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 143205358) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID143205358
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCCCC1CC1)c1nncs1
InChIInChI=1S/C9H13N3OS/c13-8(9-12-11-6-14-9)10-5-1-2-7-3-4-7/h6-7H,1-5H2,(H,10,13)
InChIKeyJXNXOAKHGYFXHI-UHFFFAOYSA-N
XLogP1.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide (CID 143205358) is N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide is O=C(NCCCC1CC1)c1nncs1.
What is the InChIKey of N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JXNXOAKHGYFXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-8(9-12-11-6-14-9)10-5-1-2-7-3-4-7/h6-7H,1-5H2,(H,10,13).
What are the key properties of N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide?
N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 143205358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).