2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide

C22H20N4O4S — CID 117093154

IUPAC2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nc(Nc4ccccn4)sc3c2)cc(OC)c1OC
InChIInChI=1S/C22H20N4O4S/c1-28-16-11-14(12-17(29-2)20(16)30-3)24-21(27)13-7-8-15-18(10-13)31-22(25-15)26-19-6-4-5-9-23-19/h4-12H,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyYPMGXIMXTPBCJL-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.71
Rot. Bonds7

About 2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide

2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 117093154) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID117093154
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3nc(Nc4ccccn4)sc3c2)cc(OC)c1OC
InChIInChI=1S/C22H20N4O4S/c1-28-16-11-14(12-17(29-2)20(16)30-3)24-21(27)13-7-8-15-18(10-13)31-22(25-15)26-19-6-4-5-9-23-19/h4-12H,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyYPMGXIMXTPBCJL-UHFFFAOYSA-N
XLogP4.71
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117092605
N-[6-[(3,4,5-trimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325858
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
tert-butyl N-[6-[(4-methoxynaphthalen-2-yl)carbamoyl]-1,3-benzothiazol-2-yl]carbamate
CID 57248483
N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 2488235
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117093091
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 55768753

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide (CID 117093154) is 2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide is COc1cc(NC(=O)c2ccc3nc(Nc4ccccn4)sc3c2)cc(OC)c1OC.
What is the InChIKey of 2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is YPMGXIMXTPBCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-28-16-11-14(12-17(29-2)20(16)30-3)24-21(27)13-7-8-15-18(10-13)31-22(25-15)26-19-6-4-5-9-23-19/h4-12H,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide?
2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117093154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).