2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine

C10H14N4S2 — CID 63538093

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine
SMILESCc1nnc(SC(CN)c2cccs2)n1C
InChIInChI=1S/C10H14N4S2/c1-7-12-13-10(14(7)2)16-9(6-11)8-4-3-5-15-8/h3-5,9H,6,11H2,1-2H3
InChIKeyPERPLLZTBRQSET-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.98
Rot. Bonds4

About 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine (PubChem CID 63538093) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine
PubChem CID63538093
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine
SMILESCc1nnc(SC(CN)c2cccs2)n1C
InChIInChI=1S/C10H14N4S2/c1-7-12-13-10(14(7)2)16-9(6-11)8-4-3-5-15-8/h3-5,9H,6,11H2,1-2H3
InChIKeyPERPLLZTBRQSET-UHFFFAOYSA-N
XLogP1.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-(3-methylphenyl)ethanamine
CID 55225297
2-(4-bromophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 55222832
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62409749
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-thiophen-2-ylethanamine
CID 62304285
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethylbutan-1-amine
CID 63538423
5-(2-amino-1-thiophen-2-ylethyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739397
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5-methylthiophen-2-yl)butan-2-amine
CID 63537269
(1S)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81409230
2-(4-methylsulfonylphenyl)sulfanyl-2-thiophen-2-ylethanamine
CID 63238348
1-(5-bromothiophen-2-yl)-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]butan-2-amine
CID 63538261
2-thiophen-2-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
CID 55020982
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4,4,4-trifluorobutan-1-amine
CID 63404842

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine (CID 63538093) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine is Cc1nnc(SC(CN)c2cccs2)n1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine?
The InChIKey is PERPLLZTBRQSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-7-12-13-10(14(7)2)16-9(6-11)8-4-3-5-15-8/h3-5,9H,6,11H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine has a molecular weight of 254.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 63538093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).