1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol

C20H24N2O3S — CID 74626402

IUPAC1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccccc1COCC(O)CN(C)Cc1nc2ccccc2s1
InChIInChI=1S/C20H24N2O3S/c1-22(12-20-21-17-8-4-6-10-19(17)26-20)11-16(23)14-25-13-15-7-3-5-9-18(15)24-2/h3-10,16,23H,11-14H2,1-2H3
InChIKeyBJIWANGKCBFWSM-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.31
Rot. Bonds9

About 1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol

1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol (PubChem CID 74626402) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
PubChem CID74626402
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccccc1COCC(O)CN(C)Cc1nc2ccccc2s1
InChIInChI=1S/C20H24N2O3S/c1-22(12-20-21-17-8-4-6-10-19(17)26-20)11-16(23)14-25-13-15-7-3-5-9-18(15)24-2/h3-10,16,23H,11-14H2,1-2H3
InChIKeyBJIWANGKCBFWSM-UHFFFAOYSA-N
XLogP3.31
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 95628605
(2R)-1-amino-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 97180175
1-[cyclobutyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111488960
1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol
CID 45077749
4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butan-2-ol
CID 113246457
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 110897729
1-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 78805385
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 17494260
methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoate
CID 60699740
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 110897730
3-(1,3-benzothiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
CID 55405785
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of 1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol (CID 74626402) is 1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol is COc1ccccc1COCC(O)CN(C)Cc1nc2ccccc2s1.
What is the InChIKey of 1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
The InChIKey is BJIWANGKCBFWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-22(12-20-21-17-8-4-6-10-19(17)26-20)11-16(23)14-25-13-15-7-3-5-9-18(15)24-2/h3-10,16,23H,11-14H2,1-2H3.
What are the key properties of 1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol?
1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol has a molecular weight of 372.49 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-3-[(2-methoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 74626402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).