N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide

C5H7N3OS — CID 5151471

IUPACN,N-dimethyl-1,2,5-thiadiazole-3-carboxamide
SMILESCN(C)C(=O)c1cnsn1
InChIInChI=1S/C5H7N3OS/c1-8(2)5(9)4-3-6-10-7-4/h3H,1-2H3
InChIKeyYLOMXQDVNKYLKF-UHFFFAOYSA-N
MW157.20 g/mol
LogP0.24
Rot. Bonds1

About N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide

N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 5151471) has the molecular formula C5H7N3OS and a molecular weight of 157.20 g/mol. Its IUPAC name is N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1,2,5-thiadiazole-3-carboxamide
PubChem CID5151471
Molecular FormulaC5H7N3OS
Molecular Weight157.20 g/mol
Exact Mass157.03
IUPAC NameN,N-dimethyl-1,2,5-thiadiazole-3-carboxamide
SMILESCN(C)C(=O)c1cnsn1
InChIInChI=1S/C5H7N3OS/c1-8(2)5(9)4-3-6-10-7-4/h3H,1-2H3
InChIKeyYLOMXQDVNKYLKF-UHFFFAOYSA-N
XLogP0.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide (CID 5151471) is N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide is CN(C)C(=O)c1cnsn1.
What is the InChIKey of N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is YLOMXQDVNKYLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3OS/c1-8(2)5(9)4-3-6-10-7-4/h3H,1-2H3.
What are the key properties of N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide?
N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 157.20 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 5151471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).