2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole

C11H13NOS — CID 167203629

IUPAC2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole
SMILESC1=Cc2nc(C3CCOC3)sc2CC1
InChIInChI=1S/C11H13NOS/c1-2-4-10-9(3-1)12-11(14-10)8-5-6-13-7-8/h1,3,8H,2,4-7H2
InChIKeySHFJBBRQHKRXFW-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.61
Rot. Bonds1

About 2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole

2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole (PubChem CID 167203629) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole
PubChem CID167203629
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole
SMILESC1=Cc2nc(C3CCOC3)sc2CC1
InChIInChI=1S/C11H13NOS/c1-2-4-10-9(3-1)12-11(14-10)8-5-6-13-7-8/h1,3,8H,2,4-7H2
InChIKeySHFJBBRQHKRXFW-UHFFFAOYSA-N
XLogP2.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(6S)-6-methyl-2-(oxan-4-yl)-7,8-dihydro-6H-cyclohepta[d][1,3]thiazole;propane
CID 166161399
5-chloro-2-(oxolan-3-yl)-1,3-thiazole
CID 117259060
5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine
CID 94191622
N-methyl-2-(oxolan-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62315083
2-(oxan-4-yl)-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide
CID 162325589
methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate
CID 115422170
2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 115043101
2-(oxolan-3-yl)-4-phenyl-1,3-thiazole
CID 112699838
2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
4-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]aniline
CID 65329058
3-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115028049
N-methyl-1-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64545521

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole?
The IUPAC name of 2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole (CID 167203629) is 2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole is C1=Cc2nc(C3CCOC3)sc2CC1.
What is the InChIKey of 2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole?
The InChIKey is SHFJBBRQHKRXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-4-10-9(3-1)12-11(14-10)8-5-6-13-7-8/h1,3,8H,2,4-7H2.
What are the key properties of 2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole?
2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole has a molecular weight of 207.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-6,7-dihydro-1,3-benzothiazole is sourced from PubChem (CID 167203629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).