N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide

C13H22N4OS2 — CID 65204223

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)CN(CCC(N)=S)C(=O)c1snnc1C(C)C
InChIInChI=1S/C13H22N4OS2/c1-8(2)7-17(6-5-10(14)19)13(18)12-11(9(3)4)15-16-20-12/h8-9H,5-7H2,1-4H3,(H2,14,19)
InChIKeySFQDHUKNPHPJPK-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.44
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204223) has the molecular formula C13H22N4OS2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204223
Molecular FormulaC13H22N4OS2
Molecular Weight314.48 g/mol
Exact Mass314.12
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)CN(CCC(N)=S)C(=O)c1snnc1C(C)C
InChIInChI=1S/C13H22N4OS2/c1-8(2)7-17(6-5-10(14)19)13(18)12-11(9(3)4)15-16-20-12/h8-9H,5-7H2,1-4H3,(H2,14,19)
InChIKeySFQDHUKNPHPJPK-UHFFFAOYSA-N
XLogP2.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(2-piperidin-1-ylethyl)thiadiazole-5-carboxamide
CID 45893429
N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 47168544
4-Ethyl-N-[2-(1-isopropylpiperidin-3-YL)ethyl]-1,2,3-thiadiazole-5-carboxamide
CID 56701372
N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
N-cycloheptyl-4-ethylthiadiazole-5-carboxamide
CID 9192469
4-ethyl-N-[3-(2-methylpropoxy)propyl]thiadiazole-5-carboxamide
CID 45796421
4-ethyl-N-[2-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 45819986
1-[4-(4-Ethylthiadiazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 53505982
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide
CID 71858632
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
4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 95209726

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204223) is N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)CN(CCC(N)=S)C(=O)c1snnc1C(C)C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is SFQDHUKNPHPJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS2/c1-8(2)7-17(6-5-10(14)19)13(18)12-11(9(3)4)15-16-20-12/h8-9H,5-7H2,1-4H3,(H2,14,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 314.48 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).