N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide

C7H11N3O2S — CID 115765125

IUPACN-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide
SMILESCC(CO)N(C)C(=O)c1cnns1
InChIInChI=1S/C7H11N3O2S/c1-5(4-11)10(2)7(12)6-3-8-9-13-6/h3,5,11H,4H2,1-2H3
InChIKeyLHCLOYBAPPJEBE-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.01
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide

N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide (PubChem CID 115765125) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide
PubChem CID115765125
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide
SMILESCC(CO)N(C)C(=O)c1cnns1
InChIInChI=1S/C7H11N3O2S/c1-5(4-11)10(2)7(12)6-3-8-9-13-6/h3,5,11H,4H2,1-2H3
InChIKeyLHCLOYBAPPJEBE-UHFFFAOYSA-N
XLogP-0.01
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide (CID 115765125) is N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide is CC(CO)N(C)C(=O)c1cnns1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is LHCLOYBAPPJEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-5(4-11)10(2)7(12)6-3-8-9-13-6/h3,5,11H,4H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 201.25 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 115765125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).