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

C6H9N3O2S — CID 61067028

IUPACN-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide
SMILESCN(CCO)C(=O)c1csnn1
InChIInChI=1S/C6H9N3O2S/c1-9(2-3-10)6(11)5-4-12-8-7-5/h4,10H,2-3H2,1H3
InChIKeyGNPGZQLDNSRWLH-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.40
Rot. Bonds3

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

N-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide (PubChem CID 61067028) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide
PubChem CID61067028
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide
SMILESCN(CCO)C(=O)c1csnn1
InChIInChI=1S/C6H9N3O2S/c1-9(2-3-10)6(11)5-4-12-8-7-5/h4,10H,2-3H2,1H3
InChIKeyGNPGZQLDNSRWLH-UHFFFAOYSA-N
XLogP-0.40
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.40
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-methylthiadiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide (CID 61067028) is N-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide is CN(CCO)C(=O)c1csnn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide?
The InChIKey is GNPGZQLDNSRWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-9(2-3-10)6(11)5-4-12-8-7-5/h4,10H,2-3H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide?
N-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide has a molecular weight of 187.22 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methylthiadiazole-4-carboxamide is sourced from PubChem (CID 61067028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).