2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine

C12H17N3S2 — CID 62410106

IUPAC2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1cc(SC(CN)c2sccc2C)n(C)n1
InChIInChI=1S/C12H17N3S2/c1-8-4-5-16-12(8)10(7-13)17-11-6-9(2)14-15(11)3/h4-6,10H,7,13H2,1-3H3
InChIKeyVRKCVYRLTPWUOI-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.89
Rot. Bonds4

About 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 62410106) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID62410106
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1cc(SC(CN)c2sccc2C)n(C)n1
InChIInChI=1S/C12H17N3S2/c1-8-4-5-16-12(8)10(7-13)17-11-6-9(2)14-15(11)3/h4-6,10H,7,13H2,1-3H3
InChIKeyVRKCVYRLTPWUOI-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62409749
[2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105315842
1,3-dimethyl-5-(3-methylthiophen-2-yl)pyrazole
CID 116856837
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 104996357
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 55038608
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(2-methylphenyl)butan-2-amine
CID 62409748
(3-ethyl-1-methylpyrazol-5-yl)-(3-methylthiophen-2-yl)methanamine
CID 105166440
1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol
CID 64813400
2-[2-amino-1-(3-methylthiophen-2-yl)ethyl]sulfanyl-N-cyclopropylacetamide
CID 114233479
(3-methylthiophen-2-yl)methyl 2,5-dimethylpyrazole-3-carboxylate
CID 84597486
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine
CID 63072187
[(3-methylthiophen-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105322374

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine (CID 62410106) is 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine is Cc1cc(SC(CN)c2sccc2C)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is VRKCVYRLTPWUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-8-4-5-16-12(8)10(7-13)17-11-6-9(2)14-15(11)3/h4-6,10H,7,13H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 267.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 62410106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).