N-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide

C7H11N3O2S — CID 62334070

IUPACN-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1cnsn1
InChIInChI=1S/C7H11N3O2S/c1-5(11)4-10(2)7(12)6-3-8-13-9-6/h3,5,11H,4H2,1-2H3
InChIKeyISPVRMNTBUWUTM-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.01
Rot. Bonds3

About N-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide

N-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 62334070) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide
PubChem CID62334070
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCC(O)CN(C)C(=O)c1cnsn1
InChIInChI=1S/C7H11N3O2S/c1-5(11)4-10(2)7(12)6-3-8-13-9-6/h3,5,11H,4H2,1-2H3
InChIKeyISPVRMNTBUWUTM-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-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide (CID 62334070) is N-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide is CC(O)CN(C)C(=O)c1cnsn1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is ISPVRMNTBUWUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-5(11)4-10(2)7(12)6-3-8-13-9-6/h3,5,11H,4H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide?
N-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-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-(2-hydroxypropyl)-N-methyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 62334070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).