[5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol

C7H12N2OS2 — CID 67711111

IUPAC[5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol
SMILESCc1nc(CO)sc1SCCN
InChIInChI=1S/C7H12N2OS2/c1-5-7(11-3-2-8)12-6(4-10)9-5/h10H,2-4,8H2,1H3
InChIKeyHAVPUFFDIXTWPV-UHFFFAOYSA-N
MW204.32 g/mol
LogP0.99
Rot. Bonds4

About [5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol

[5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol (PubChem CID 67711111) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is [5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol
PubChem CID67711111
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name[5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol
SMILESCc1nc(CO)sc1SCCN
InChIInChI=1S/C7H12N2OS2/c1-5-7(11-3-2-8)12-6(4-10)9-5/h10H,2-4,8H2,1H3
InChIKeyHAVPUFFDIXTWPV-UHFFFAOYSA-N
XLogP0.99
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol?
The IUPAC name of [5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol (CID 67711111) is [5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol is Cc1nc(CO)sc1SCCN.
What is the InChIKey of [5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol?
The InChIKey is HAVPUFFDIXTWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2/c1-5-7(11-3-2-8)12-6(4-10)9-5/h10H,2-4,8H2,1H3.
What are the key properties of [5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol?
[5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol has a molecular weight of 204.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-aminoethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 67711111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).