N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide

C8H13N3O2S — CID 61067030

IUPACN-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide
SMILESCCCN(CCO)C(=O)c1csnn1
InChIInChI=1S/C8H13N3O2S/c1-2-3-11(4-5-12)8(13)7-6-14-10-9-7/h6,12H,2-5H2,1H3
InChIKeyYBNBBPZMVMLFKK-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.38
Rot. Bonds5

About N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide

N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide (PubChem CID 61067030) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide
PubChem CID61067030
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide
SMILESCCCN(CCO)C(=O)c1csnn1
InChIInChI=1S/C8H13N3O2S/c1-2-3-11(4-5-12)8(13)7-6-14-10-9-7/h6,12H,2-5H2,1H3
InChIKeyYBNBBPZMVMLFKK-UHFFFAOYSA-N
XLogP0.38
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide (CID 61067030) is N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide is CCCN(CCO)C(=O)c1csnn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide?
The InChIKey is YBNBBPZMVMLFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-3-11(4-5-12)8(13)7-6-14-10-9-7/h6,12H,2-5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide?
N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propylthiadiazole-4-carboxamide is sourced from PubChem (CID 61067030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).