5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide

C8H14N4OS — CID 1499045

IUPAC5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1NC(C)(C)C
InChIInChI=1S/C8H14N4OS/c1-8(2,3)10-7-5(6(13)9-4)11-12-14-7/h10H,1-4H3,(H,9,13)
InChIKeyFGKBMFYWFCGBMJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.11
Rot. Bonds2

About 5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide

5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide (PubChem CID 1499045) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide
PubChem CID1499045
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1NC(C)(C)C
InChIInChI=1S/C8H14N4OS/c1-8(2,3)10-7-5(6(13)9-4)11-12-14-7/h10H,1-4H3,(H,9,13)
InChIKeyFGKBMFYWFCGBMJ-UHFFFAOYSA-N
XLogP1.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide (CID 1499045) is 5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide is CNC(=O)c1nnsc1NC(C)(C)C.
What is the InChIKey of 5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide?
The InChIKey is FGKBMFYWFCGBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-8(2,3)10-7-5(6(13)9-4)11-12-14-7/h10H,1-4H3,(H,9,13).
What are the key properties of 5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide?
5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-methylthiadiazole-4-carboxamide is sourced from PubChem (CID 1499045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).