3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol

C9H15NOS2 — CID 103773263

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol
SMILESCc1csc(CSC(C)C(C)O)n1
InChIInChI=1S/C9H15NOS2/c1-6-4-13-9(10-6)5-12-8(3)7(2)11/h4,7-8,11H,5H2,1-3H3
InChIKeyNGYUGTAJHNOBSE-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.45
Rot. Bonds4

About 3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol

3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol (PubChem CID 103773263) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol
PubChem CID103773263
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol
SMILESCc1csc(CSC(C)C(C)O)n1
InChIInChI=1S/C9H15NOS2/c1-6-4-13-9(10-6)5-12-8(3)7(2)11/h4,7-8,11H,5H2,1-3H3
InChIKeyNGYUGTAJHNOBSE-UHFFFAOYSA-N
XLogP2.45
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol (CID 103773263) is 3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol is Cc1csc(CSC(C)C(C)O)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol?
The InChIKey is NGYUGTAJHNOBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-6-4-13-9(10-6)5-12-8(3)7(2)11/h4,7-8,11H,5H2,1-3H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol?
3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol has a molecular weight of 217.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol is sourced from PubChem (CID 103773263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).