7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane

C19H23ClN2O2S — CID 142389723

IUPAC7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane
SMILESCCC.CNc1nc2c(OC)cc(OCc3ccccc3)c(Cl)c2s1
InChIInChI=1S/C16H15ClN2O2S.C3H8/c1-18-16-19-14-12(20-2)8-11(13(17)15(14)22-16)21-9-10-6-4-3-5-7-10;1-3-2/h3-8H,9H2,1-2H3,(H,18,19);3H2,1-2H3
InChIKeyCJODSQUQBNEQOC-UHFFFAOYSA-N
MW378.93 g/mol
LogP6.00
Rot. Bonds5

About 7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane

7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane (PubChem CID 142389723) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane.

Molecular Properties

Compound Name7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane
PubChem CID142389723
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane
SMILESCCC.CNc1nc2c(OC)cc(OCc3ccccc3)c(Cl)c2s1
InChIInChI=1S/C16H15ClN2O2S.C3H8/c1-18-16-19-14-12(20-2)8-11(13(17)15(14)22-16)21-9-10-6-4-3-5-7-10;1-3-2/h3-8H,9H2,1-2H3,(H,18,19);3H2,1-2H3
InChIKeyCJODSQUQBNEQOC-UHFFFAOYSA-N
XLogP6.00
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.93
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549208
6-[(2-bromo-4-pyridinyl)methoxy]-4-methoxy-N-methyl-1,3-benzothiazol-2-amine;propane
CID 142389739
4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549487
2-chloro-3-ethyl-4,6-bis(phenylmethoxy)pyridine
CID 89421768
N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 82549612
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
6-chloro-3-methoxy-2-methyl-4-phenylmethoxypyridine
CID 169250017
(7R)-7-(3-methoxy-2-phenylmethoxyphenyl)-2-(methylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 52899399
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 3117869

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane?
The IUPAC name of 7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane (CID 142389723) is 7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane.
What is the SMILES notation for 7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane?
The canonical SMILES for 7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane is CCC.CNc1nc2c(OC)cc(OCc3ccccc3)c(Cl)c2s1.
What is the InChIKey of 7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane?
The InChIKey is CJODSQUQBNEQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S.C3H8/c1-18-16-19-14-12(20-2)8-11(13(17)15(14)22-16)21-9-10-6-4-3-5-7-10;1-3-2/h3-8H,9H2,1-2H3,(H,18,19);3H2,1-2H3.
What are the key properties of 7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane?
7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane has a molecular weight of 378.93 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane is sourced from PubChem (CID 142389723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).