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

C7H11N3OS — CID 135170511

IUPAC5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide
SMILESCc1nc(C(=O)NC(C)C)ns1
InChIInChI=1S/C7H11N3OS/c1-4(2)8-7(11)6-9-5(3)12-10-6/h4H,1-3H3,(H,8,11)
InChIKeyDUPAIBQJKNPZGR-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.98
Rot. Bonds2

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

5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide (PubChem CID 135170511) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide
PubChem CID135170511
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide
SMILESCc1nc(C(=O)NC(C)C)ns1
InChIInChI=1S/C7H11N3OS/c1-4(2)8-7(11)6-9-5(3)12-10-6/h4H,1-3H3,(H,8,11)
InChIKeyDUPAIBQJKNPZGR-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide?
The IUPAC name of 5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide (CID 135170511) is 5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide is Cc1nc(C(=O)NC(C)C)ns1.
What is the InChIKey of 5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide?
The InChIKey is DUPAIBQJKNPZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-4(2)8-7(11)6-9-5(3)12-10-6/h4H,1-3H3,(H,8,11).
What are the key properties of 5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide?
5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide has a molecular weight of 185.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-1,2,4-thiadiazole-3-carboxamide is sourced from PubChem (CID 135170511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).