phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate

C20H18N4O3S — CID 141233220

IUPACphenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate
SMILESCc1cc(COc2ccc3nc(NC(=O)Oc4ccccc4)sc3c2)n(C)n1
InChIInChI=1S/C20H18N4O3S/c1-13-10-14(24(2)23-13)12-26-16-8-9-17-18(11-16)28-19(21-17)22-20(25)27-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,22,25)
InChIKeyWNRYOCICUHWALL-UHFFFAOYSA-N
MW394.46 g/mol
LogP4.53
Rot. Bonds5

About phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate

phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate (PubChem CID 141233220) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate
PubChem CID141233220
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Namephenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate
SMILESCc1cc(COc2ccc3nc(NC(=O)Oc4ccccc4)sc3c2)n(C)n1
InChIInChI=1S/C20H18N4O3S/c1-13-10-14(24(2)23-13)12-26-16-8-9-17-18(11-16)28-19(21-17)22-20(25)27-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,22,25)
InChIKeyWNRYOCICUHWALL-UHFFFAOYSA-N
XLogP4.53
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethyl-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 71890744
phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate
CID 53268833
ethyl 2-(phenoxycarbonylamino)-1,3-benzothiazole-6-carboxylate
CID 87933804
butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate
CID 108747722
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
(2S)-2-bromo-N-(6-phenylmethoxy-1,3-benzothiazol-2-yl)hexanamide
CID 28662840
(2R)-2-bromo-N-(6-phenylmethoxy-1,3-benzothiazol-2-yl)hexanamide
CID 28662837
N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine
CID 82549612
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 17026851

Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate?
The IUPAC name of phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate (CID 141233220) is phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate.
What is the SMILES notation for phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate?
The canonical SMILES for phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate is Cc1cc(COc2ccc3nc(NC(=O)Oc4ccccc4)sc3c2)n(C)n1.
What is the InChIKey of phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate?
The InChIKey is WNRYOCICUHWALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-13-10-14(24(2)23-13)12-26-16-8-9-17-18(11-16)28-19(21-17)22-20(25)27-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,22,25).
What are the key properties of phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate?
phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate has a molecular weight of 394.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-[(2,5-dimethylpyrazol-3-yl)methoxy]-1,3-benzothiazol-2-yl]carbamate is sourced from PubChem (CID 141233220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).