(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol

C9H13NOS — CID 12917750

IUPAC(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol
SMILESCc1nc2c(s1)CC(CO)CC2
InChIInChI=1S/C9H13NOS/c1-6-10-8-3-2-7(5-11)4-9(8)12-6/h7,11H,2-5H2,1H3
InChIKeyQXXDTKKDDQWYBZ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.55
Rot. Bonds1

About (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol

(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol (PubChem CID 12917750) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol.

Molecular Properties

Compound Name(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol
PubChem CID12917750
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol
SMILESCc1nc2c(s1)CC(CO)CC2
InChIInChI=1S/C9H13NOS/c1-6-10-8-3-2-7(5-11)4-9(8)12-6/h7,11H,2-5H2,1H3
InChIKeyQXXDTKKDDQWYBZ-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol?
The IUPAC name of (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol (CID 12917750) is (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol.
What is the SMILES notation for (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol?
The canonical SMILES for (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol is Cc1nc2c(s1)CC(CO)CC2.
What is the InChIKey of (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol?
The InChIKey is QXXDTKKDDQWYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6-10-8-3-2-7(5-11)4-9(8)12-6/h7,11H,2-5H2,1H3.
What are the key properties of (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol?
(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol has a molecular weight of 183.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanol is sourced from PubChem (CID 12917750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).