1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol

C12H13NOS — CID 117312894

IUPAC1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol
SMILESCc1nc2cccc(CC3(O)CC3)c2s1
InChIInChI=1S/C12H13NOS/c1-8-13-10-4-2-3-9(11(10)15-8)7-12(14)5-6-12/h2-4,14H,5-7H2,1H3
InChIKeyJTJPOZHHWHPCKE-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.67
Rot. Bonds2

About 1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol

1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol (PubChem CID 117312894) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol
PubChem CID117312894
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol
SMILESCc1nc2cccc(CC3(O)CC3)c2s1
InChIInChI=1S/C12H13NOS/c1-8-13-10-4-2-3-9(11(10)15-8)7-12(14)5-6-12/h2-4,14H,5-7H2,1H3
InChIKeyJTJPOZHHWHPCKE-UHFFFAOYSA-N
XLogP2.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol (CID 117312894) is 1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol is Cc1nc2cccc(CC3(O)CC3)c2s1.
What is the InChIKey of 1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol?
The InChIKey is JTJPOZHHWHPCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-13-10-4-2-3-9(11(10)15-8)7-12(14)5-6-12/h2-4,14H,5-7H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol?
1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol has a molecular weight of 219.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-benzothiazol-7-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117312894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).