5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide

C9H15ClN4OS — CID 80618329

IUPAC5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H15ClN4OS/c1-9(2,14(3)4)5-11-6(15)7-12-13-8(10)16-7/h5H2,1-4H3,(H,11,15)
InChIKeyPYANFLOFSAPAOS-UHFFFAOYSA-N
MW262.77 g/mol
LogP1.26
Rot. Bonds4

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

5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618329) has the molecular formula C9H15ClN4OS and a molecular weight of 262.77 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618329
Molecular FormulaC9H15ClN4OS
Molecular Weight262.77 g/mol
Exact Mass262.07
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H15ClN4OS/c1-9(2,14(3)4)5-11-6(15)7-12-13-8(10)16-7/h5H2,1-4H3,(H,11,15)
InChIKeyPYANFLOFSAPAOS-UHFFFAOYSA-N
XLogP1.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618329) is 5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide is CN(C)C(C)(C)CNC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PYANFLOFSAPAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4OS/c1-9(2,14(3)4)5-11-6(15)7-12-13-8(10)16-7/h5H2,1-4H3,(H,11,15).
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 262.77 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).