N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide

C8H13N3OS — CID 65204674

IUPACN,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N(C)C
InChIInChI=1S/C8H13N3OS/c1-5(2)6-7(13-10-9-6)8(12)11(3)4/h5H,1-4H3
InChIKeyQXWODWFXSDNTDH-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.36
Rot. Bonds2

About N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide

N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204674) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204674
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N(C)C
InChIInChI=1S/C8H13N3OS/c1-5(2)6-7(13-10-9-6)8(12)11(3)4/h5H,1-4H3
InChIKeyQXWODWFXSDNTDH-UHFFFAOYSA-N
XLogP1.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204674) is N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is QXWODWFXSDNTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(2)6-7(13-10-9-6)8(12)11(3)4/h5H,1-4H3.
What are the key properties of N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide?
N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 199.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).