2-[(2S)-butan-2-yl]-1,3-thiazole

C7H11NS — CID 446177

IUPAC2-[(2S)-butan-2-yl]-1,3-thiazole
SMILESCC[C@H](C)C1=NC=CS1
InChIInChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyMHJSWOZJMPIGJQ-LURJTMIESA-N
MW141.24 g/mol
LogP2.50
Rot. Bonds2

About 2-[(2S)-butan-2-yl]-1,3-thiazole

2-[(2S)-butan-2-yl]-1,3-thiazole (PubChem CID 446177) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]-1,3-thiazole
PubChem CID446177
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-[(2S)-butan-2-yl]-1,3-thiazole
SMILESCC[C@H](C)C1=NC=CS1
InChIInChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyMHJSWOZJMPIGJQ-LURJTMIESA-N
XLogP2.50
TPSA41.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity85

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2S)-butan-2-yl]-1,3-thiazole (CID 446177) is 2-[(2S)-butan-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2S)-butan-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2S)-butan-2-yl]-1,3-thiazole is CC[C@H](C)C1=NC=CS1.
What is the InChIKey of 2-[(2S)-butan-2-yl]-1,3-thiazole?
The InChIKey is MHJSWOZJMPIGJQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]-1,3-thiazole?
2-[(2S)-butan-2-yl]-1,3-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]-1,3-thiazole is sourced from PubChem (CID 446177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).