[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate

C17H15ClN2O3S — CID 139798301

IUPAC[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(OCc2nc3ccccc3s2)c(Cl)c1
InChIInChI=1S/C17H15ClN2O3S/c1-20(2)17(21)23-11-7-8-14(12(18)9-11)22-10-16-19-13-5-3-4-6-15(13)24-16/h3-9H,10H2,1-2H3
InChIKeyMKFZRBWLYVJSSR-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.59
Rot. Bonds4

About [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate

[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate (PubChem CID 139798301) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate
PubChem CID139798301
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc(OCc2nc3ccccc3s2)c(Cl)c1
InChIInChI=1S/C17H15ClN2O3S/c1-20(2)17(21)23-11-7-8-14(12(18)9-11)22-10-16-19-13-5-3-4-6-15(13)24-16/h3-9H,10H2,1-2H3
InChIKeyMKFZRBWLYVJSSR-UHFFFAOYSA-N
XLogP4.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzothiazol-2-ylmethoxy)-3-methoxyphenyl] N,N-dimethylcarbamate
CID 139798289
[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 115761235
4-(1,3-benzothiazol-2-ylmethoxy)-2-chlorobenzenecarbothioamide
CID 102724262
2-(1,3-benzothiazol-2-ylmethoxy)-5-methylbenzoic acid
CID 60652782
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl] N-methylcarbamate
CID 22442661
1-[2-(1,3-benzothiazol-2-ylmethoxy)-4-bromophenyl]ethanone
CID 103750338
N-(1,3-benzothiazol-2-ylmethyl)-2-(3,4-dichlorophenoxy)-N-methylpropanamide
CID 134038096
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157
[2-(1,3-benzothiazol-2-ylmethoxy)-4-methoxyphenyl]methanol
CID 104631288
4-(1,3-benzothiazol-2-ylmethoxy)-3-fluorobenzoic acid
CID 107689778
3-amino-4-(1,3-benzothiazol-2-ylmethoxy)benzoic acid
CID 104631513
2-(1,3-benzothiazol-2-ylmethoxy)-6-chlorobenzaldehyde
CID 104631097

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate (CID 139798301) is [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc(OCc2nc3ccccc3s2)c(Cl)c1.
What is the InChIKey of [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate?
The InChIKey is MKFZRBWLYVJSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-20(2)17(21)23-11-7-8-14(12(18)9-11)22-10-16-19-13-5-3-4-6-15(13)24-16/h3-9H,10H2,1-2H3.
What are the key properties of [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate?
[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate has a molecular weight of 362.84 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 139798301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).