5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine

C10H13ClN4S2 — CID 55179720

IUPAC5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1c(N)nnc1SCc1ccc(Cl)s1
InChIInChI=1S/C10H13ClN4S2/c1-6(2)15-9(12)13-14-10(15)16-5-7-3-4-8(11)17-7/h3-4,6H,5H2,1-2H3,(H2,12,13)
InChIKeyUOCVHZPIQSNKLB-UHFFFAOYSA-N
MW288.83 g/mol
LogP3.45
Rot. Bonds4

About 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine

5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 55179720) has the molecular formula C10H13ClN4S2 and a molecular weight of 288.83 g/mol. Its IUPAC name is 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID55179720
Molecular FormulaC10H13ClN4S2
Molecular Weight288.83 g/mol
Exact Mass288.03
IUPAC Name5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)n1c(N)nnc1SCc1ccc(Cl)s1
InChIInChI=1S/C10H13ClN4S2/c1-6(2)15-9(12)13-14-10(15)16-5-7-3-4-8(11)17-7/h3-4,6H,5H2,1-2H3,(H2,12,13)
InChIKeyUOCVHZPIQSNKLB-UHFFFAOYSA-N
XLogP3.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine with MolForge

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Related Compounds

5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63090805
5-[(2-methylphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 55179525
2-[3-[(5-chlorothiophen-2-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294653
5-[(3,5-dichloro-2-pyridinyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 75446452
4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine
CID 63095762
4-propan-2-yl-5-[(3-propan-2-ylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 66153258
4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine
CID 63096477
5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63581050
4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzohydrazide
CID 63580138
4-propan-2-yl-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 63089919
5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 66188755
5-[2-(methylamino)ethylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63095774

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine (CID 55179720) is 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine is CC(C)n1c(N)nnc1SCc1ccc(Cl)s1.
What is the InChIKey of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is UOCVHZPIQSNKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4S2/c1-6(2)15-9(12)13-14-10(15)16-5-7-3-4-8(11)17-7/h3-4,6H,5H2,1-2H3,(H2,12,13).
What are the key properties of 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 288.83 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 55179720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).