2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C13H20N2O2S — CID 82754742

IUPAC2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCC1OCCC1N(C)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C13H20N2O2S/c1-8-10(6-7-17-8)15(2)13-14-9-4-3-5-11(16)12(9)18-13/h8,10-11,16H,3-7H2,1-2H3
InChIKeyHIJPBSMRMJEBGB-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.13
Rot. Bonds2

About 2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 82754742) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID82754742
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCC1OCCC1N(C)c1nc2c(s1)C(O)CCC2
InChIInChI=1S/C13H20N2O2S/c1-8-10(6-7-17-8)15(2)13-14-9-4-3-5-11(16)12(9)18-13/h8,10-11,16H,3-7H2,1-2H3
InChIKeyHIJPBSMRMJEBGB-UHFFFAOYSA-N
XLogP2.13
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol with MolForge

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Related Compounds

2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62754174
1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 82754565
2-(dibutylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 55112269
2-[methyl(thiophen-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62752460
2-[3-(dimethylamino)propyl-ethylamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 102997998
5,5-dimethyl-2-[methyl-(2-methylcyclohexyl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62754539
2-(N-ethylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62753483
methyl 4-chloro-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 82747995
4-cyclopropyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-5-carbaldehyde
CID 82753674
methyl 5-acetyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697961
2-[2-methylpropyl(pentan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 79490051
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 83157100

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 82754742) is 2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CC1OCCC1N(C)c1nc2c(s1)C(O)CCC2.
What is the InChIKey of 2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is HIJPBSMRMJEBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8-10(6-7-17-8)15(2)13-14-9-4-3-5-11(16)12(9)18-13/h8,10-11,16H,3-7H2,1-2H3.
What are the key properties of 2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 268.38 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyloxolan-3-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 82754742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).