5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol

C9H13NOS — CID 46784948

IUPAC5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol
SMILESOCc1nc2c(s1)CCCCC2
InChIInChI=1S/C9H13NOS/c11-6-9-10-7-4-2-1-3-5-8(7)12-9/h11H,1-6H2
InChIKeyBFZRRWYKJHJXJE-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.90
Rot. Bonds1

About 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol

5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol (PubChem CID 46784948) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol
PubChem CID46784948
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol
SMILESOCc1nc2c(s1)CCCCC2
InChIInChI=1S/C9H13NOS/c11-6-9-10-7-4-2-1-3-5-8(7)12-9/h11H,1-6H2
InChIKeyBFZRRWYKJHJXJE-UHFFFAOYSA-N
XLogP1.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)methanol
CID 46784931
2-Methyl-5,6,7,8-tetrahydro-4h-cyclohepta[d]-1,3-thiazole
CID 21529491
(6,6-difluoro-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methanol
CID 176218082
[5-(2,2-Difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol;methane
CID 176718007
[5-(2,2-Difluoropropyl)-4-methyl-1,3-thiazol-2-yl]methanol
CID 176718008
5,6-Dihydro-4H-cyclopentathiazole-2-methanol
CID 46784913
1-(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)ethanol
CID 46784941
4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazole-2-carbaldehyde
CID 46784947
2-methoxy-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 123945310
2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 130157212
2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 130157608
2-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 130157917

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol?
The IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol (CID 46784948) is 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol is OCc1nc2c(s1)CCCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol?
The InChIKey is BFZRRWYKJHJXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c11-6-9-10-7-4-2-1-3-5-8(7)12-9/h11H,1-6H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol?
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol has a molecular weight of 183.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylmethanol is sourced from PubChem (CID 46784948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).