(2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol

C5H10N4S — CID 90195656

IUPAC(2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol
SMILESCc1nc([C@@H](N)CS)n[nH]1
InChIInChI=1S/C5H10N4S/c1-3-7-5(9-8-3)4(6)2-10/h4,10H,2,6H2,1H3,(H,7,8,9)/t4-/m0/s1
InChIKeyLXNUKZWXLACJOK-BYPYZUCNSA-N
MW158.23 g/mol
LogP0.04
Rot. Bonds2

About (2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol

(2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol (PubChem CID 90195656) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol
PubChem CID90195656
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Name(2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol
SMILESCc1nc([C@@H](N)CS)n[nH]1
InChIInChI=1S/C5H10N4S/c1-3-7-5(9-8-3)4(6)2-10/h4,10H,2,6H2,1H3,(H,7,8,9)/t4-/m0/s1
InChIKeyLXNUKZWXLACJOK-BYPYZUCNSA-N
XLogP0.04
TPSA67.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol?
The IUPAC name of (2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol (CID 90195656) is (2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol.
What is the SMILES notation for (2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol?
The canonical SMILES for (2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol is Cc1nc([C@@H](N)CS)n[nH]1.
What is the InChIKey of (2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol?
The InChIKey is LXNUKZWXLACJOK-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N4S/c1-3-7-5(9-8-3)4(6)2-10/h4,10H,2,6H2,1H3,(H,7,8,9)/t4-/m0/s1.
What are the key properties of (2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol?
(2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol has a molecular weight of 158.23 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanethiol is sourced from PubChem (CID 90195656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).