4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide

C14H22N4OS — CID 107487037

IUPAC4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCCC1=CCNCC1
InChIInChI=1S/C14H22N4OS/c1-14(2,3)12-11(20-18-17-12)13(19)16-9-6-10-4-7-15-8-5-10/h4,15H,5-9H2,1-3H3,(H,16,19)
InChIKeyMRKZDDIQRRSCGI-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.88
Rot. Bonds4

About 4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide

4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 107487037) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID107487037
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCCC1=CCNCC1
InChIInChI=1S/C14H22N4OS/c1-14(2,3)12-11(20-18-17-12)13(19)16-9-6-10-4-7-15-8-5-10/h4,15H,5-9H2,1-3H3,(H,16,19)
InChIKeyMRKZDDIQRRSCGI-UHFFFAOYSA-N
XLogP1.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-(2-piperidin-1-ylethyl)thiadiazole-5-carboxamide
CID 45893429
4-Ethyl-N-[2-(1-isopropylpiperidin-3-YL)ethyl]-1,2,3-thiadiazole-5-carboxamide
CID 56701372
4-ethyl-N-[2-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 45819986
4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide
CID 86807030
4-ethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide
CID 93618229
N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 114383434
N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 114383694
N-[(4,4-difluorocyclohexyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 166179834
4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide
CID 166239910
N-[(4-isopropyl-1,2,3-thiadiazol-5-yl)methyl]-4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 56720617
3-[(4-Ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-3,9-diazaspiro[5.5]undecane
CID 56864650
N-(1-cyclohex-1-en-1-ylethyl)-4-isopropyl-1,2,3-thiadiazole-5-carboxamide
CID 56875717

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide (CID 107487037) is 4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)NCCC1=CCNCC1.
What is the InChIKey of 4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is MRKZDDIQRRSCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-14(2,3)12-11(20-18-17-12)13(19)16-9-6-10-4-7-15-8-5-10/h4,15H,5-9H2,1-3H3,(H,16,19).
What are the key properties of 4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide?
4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 107487037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).