N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide

C13H24N4OS — CID 80698104

IUPACN-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCCCCC(CN)NC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C13H24N4OS/c1-5-6-7-9(8-14)15-12(18)10-11(13(2,3)4)16-17-19-10/h9H,5-8,14H2,1-4H3,(H,15,18)
InChIKeyLQQRNPABSPOOCR-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.08
Rot. Bonds6

About N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide

N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide (PubChem CID 80698104) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide
PubChem CID80698104
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC NameN-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCCCCC(CN)NC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C13H24N4OS/c1-5-6-7-9(8-14)15-12(18)10-11(13(2,3)4)16-17-19-10/h9H,5-8,14H2,1-4H3,(H,15,18)
InChIKeyLQQRNPABSPOOCR-UHFFFAOYSA-N
XLogP2.08
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65204953
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 115303345
N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65193405
methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate
CID 65210597
(2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 65206035
1-(4-tert-butylthiadiazol-5-yl)-2-ethylbutan-1-one
CID 105117394
N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide
CID 80697346
4-tert-butyl-N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide
CID 106117745
1-(4-tert-butylthiadiazol-5-yl)nonan-1-one
CID 105087241
4-tert-butyl-N-(4-chloropentyl)thiadiazole-5-carboxamide
CID 106129514
4-tert-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]thiadiazole-5-carboxamide
CID 107866649
4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide
CID 83057848

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide (CID 80698104) is N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide is CCCCC(CN)NC(=O)c1snnc1C(C)(C)C.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide?
The InChIKey is LQQRNPABSPOOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-5-6-7-9(8-14)15-12(18)10-11(13(2,3)4)16-17-19-10/h9H,5-8,14H2,1-4H3,(H,15,18).
What are the key properties of N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide?
N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide is sourced from PubChem (CID 80698104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).