3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide

C10H17N3OS — CID 71807106

IUPAC3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1nc(C)ns1
InChIInChI=1S/C10H17N3OS/c1-4-6-13(7-5-2)10(14)9-11-8(3)12-15-9/h4-7H2,1-3H3
InChIKeyVIBNLBKDIVRNMR-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.11
Rot. Bonds5

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

3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807106) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807106
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1nc(C)ns1
InChIInChI=1S/C10H17N3OS/c1-4-6-13(7-5-2)10(14)9-11-8(3)12-15-9/h4-7H2,1-3H3
InChIKeyVIBNLBKDIVRNMR-UHFFFAOYSA-N
XLogP2.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925922
N-(2-hydroxyethyl)-N-isopropyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807126
N-(2-(dimethylamino)ethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807138
[(S)-3-methyl-1-piperidyl](3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 97355265
1-(3-Methyl-1,2,4-thiadiazole-5-carbonyl)piperidine
CID 71807110
N-isopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807130
N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925915
(5-Methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone
CID 58800873
1-[2,3,5,6-Tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 71277803
3-tert-butyl-N-propan-2-yl-1,2,4-thiadiazole-5-carboxamide
CID 89776216
3-tert-butyl-N-ethyl-1,2,4-thiadiazole-5-carboxamide
CID 89776258
N-cyclopropyl-5-methyl-1,2,4-thiadiazole-3-carboxamide
CID 135170504

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide (CID 71807106) is 3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide is CCCN(CCC)C(=O)c1nc(C)ns1.
What is the InChIKey of 3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is VIBNLBKDIVRNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-6-13(7-5-2)10(14)9-11-8(3)12-15-9/h4-7H2,1-3H3.
What are the key properties of 3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide?
3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).