2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol

C9H14N2OS2 — CID 60886467

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol
SMILESCc1nc(N)sc1SC1CCCC1O
InChIInChI=1S/C9H14N2OS2/c1-5-8(14-9(10)11-5)13-7-4-2-3-6(7)12/h6-7,12H,2-4H2,1H3,(H2,10,11)
InChIKeyPWAYKKZQHNMLKR-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.04
Rot. Bonds2

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol (PubChem CID 60886467) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol
PubChem CID60886467
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol
SMILESCc1nc(N)sc1SC1CCCC1O
InChIInChI=1S/C9H14N2OS2/c1-5-8(14-9(10)11-5)13-7-4-2-3-6(7)12/h6-7,12H,2-4H2,1H3,(H2,10,11)
InChIKeyPWAYKKZQHNMLKR-UHFFFAOYSA-N
XLogP2.04
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol (CID 60886467) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol is Cc1nc(N)sc1SC1CCCC1O.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol?
The InChIKey is PWAYKKZQHNMLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-5-8(14-9(10)11-5)13-7-4-2-3-6(7)12/h6-7,12H,2-4H2,1H3,(H2,10,11).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol has a molecular weight of 230.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]cyclopentan-1-ol is sourced from PubChem (CID 60886467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).