N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide

C8H14N4OS — CID 71807138

IUPACN-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCN(C)C)n1
InChIInChI=1S/C8H14N4OS/c1-6-10-8(14-11-6)7(13)9-4-5-12(2)3/h4-5H2,1-3H3,(H,9,13)
InChIKeyZXYLPBJVCGDLIF-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.14
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807138) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807138
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCN(C)C)n1
InChIInChI=1S/C8H14N4OS/c1-6-10-8(14-11-6)7(13)9-4-5-12(2)3/h4-5H2,1-3H3,(H,9,13)
InChIKeyZXYLPBJVCGDLIF-UHFFFAOYSA-N
XLogP0.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 71807138) is N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCCN(C)C)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is ZXYLPBJVCGDLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-6-10-8(14-11-6)7(13)9-4-5-12(2)3/h4-5H2,1-3H3,(H,9,13).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).