N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide

C7H11N3OS — CID 166021944

IUPACN-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide
SMILESCNC(=O)c1nsc(C(C)C)n1
InChIInChI=1S/C7H11N3OS/c1-4(2)7-9-5(10-12-7)6(11)8-3/h4H,1-3H3,(H,8,11)
InChIKeyANQVSNOWOLXUQT-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.02
Rot. Bonds2

About N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide

N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide (PubChem CID 166021944) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide
PubChem CID166021944
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide
SMILESCNC(=O)c1nsc(C(C)C)n1
InChIInChI=1S/C7H11N3OS/c1-4(2)7-9-5(10-12-7)6(11)8-3/h4H,1-3H3,(H,8,11)
InChIKeyANQVSNOWOLXUQT-UHFFFAOYSA-N
XLogP1.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide (CID 166021944) is N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide is CNC(=O)c1nsc(C(C)C)n1.
What is the InChIKey of N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide?
The InChIKey is ANQVSNOWOLXUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4(2)7-9-5(10-12-7)6(11)8-3/h4H,1-3H3,(H,8,11).
What are the key properties of N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide?
N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide has a molecular weight of 185.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-1,2,4-thiadiazole-3-carboxamide is sourced from PubChem (CID 166021944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).