N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide

C21H18N4O2S — CID 117093091

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc2nc(Nc3ccccn3)sc2c1
InChIInChI=1S/C21H18N4O2S/c26-16-7-4-14(5-8-16)10-12-23-20(27)15-6-9-17-18(13-15)28-21(24-17)25-19-3-1-2-11-22-19/h1-9,11,13,26H,10,12H2,(H,23,27)(H,22,24,25)
InChIKeyKAWLWZOGPZGZOE-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.11
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide (PubChem CID 117093091) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
PubChem CID117093091
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc2nc(Nc3ccccn3)sc2c1
InChIInChI=1S/C21H18N4O2S/c26-16-7-4-14(5-8-16)10-12-23-20(27)15-6-9-17-18(13-15)28-21(24-17)25-19-3-1-2-11-22-19/h1-9,11,13,26H,10,12H2,(H,23,27)(H,22,24,25)
InChIKeyKAWLWZOGPZGZOE-UHFFFAOYSA-N
XLogP4.11
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117092605
N-[2-(4-hydroxyphenyl)ethyl]-2-(isoquinolin-1-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117087850
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117089794
N-(2-morpholin-4-ylethyl)-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117088236
N-propyl-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117087073
N-[2-[di(propan-2-yl)amino]ethyl]-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117091922
6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581598
N-(2-phenoxyethyl)-2-(pyrimidin-2-ylamino)-1,3-benzothiazole-6-carboxamide
CID 117088450
2-(pyridin-2-ylamino)-N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 117093154
N-[2-(4-hydroxyphenyl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-benzothiazole-6-carboxamide
CID 117085815
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490
6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide (CID 117093091) is N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide is O=C(NCCc1ccc(O)cc1)c1ccc2nc(Nc3ccccn3)sc2c1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
The InChIKey is KAWLWZOGPZGZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-16-7-4-14(5-8-16)10-12-23-20(27)15-6-9-17-18(13-15)28-21(24-17)25-19-3-1-2-11-22-19/h1-9,11,13,26H,10,12H2,(H,23,27)(H,22,24,25).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-2-ylamino)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117093091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).