N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide

C10H16N4OS2 — CID 65205425

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(C)C(N)=S
InChIInChI=1S/C10H16N4OS2/c1-3-4-7-8(17-14-13-7)10(15)12-5-6(2)9(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H,12,15)
InChIKeyRKHUHPFGZGAAFY-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.14
Rot. Bonds6

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 65205425) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide
PubChem CID65205425
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(C)C(N)=S
InChIInChI=1S/C10H16N4OS2/c1-3-4-7-8(17-14-13-7)10(15)12-5-6(2)9(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H,12,15)
InChIKeyRKHUHPFGZGAAFY-UHFFFAOYSA-N
XLogP1.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
N-(3-bromobutyl)-4-propylthiadiazole-5-carboxamide
CID 114312667
(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 114004767
N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65204972
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205051
(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205940
N-(5-chloropentan-2-yl)-4-propylthiadiazole-5-carboxamide
CID 114305945
N-(3-bromo-4-methoxybutyl)-4-propylthiadiazole-5-carboxamide
CID 106244987

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide (CID 65205425) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC(C)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is RKHUHPFGZGAAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS2/c1-3-4-7-8(17-14-13-7)10(15)12-5-6(2)9(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H,12,15).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 272.40 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).