N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide

C22H27N5O2S — CID 153352061

IUPACN-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide
SMILESCCCC1CCN(c2ncc(-c3nc4ccc(C(=O)NCCO)cc4s3)cn2)CC1
InChIInChI=1S/C22H27N5O2S/c1-2-3-15-6-9-27(10-7-15)22-24-13-17(14-25-22)21-26-18-5-4-16(12-19(18)30-21)20(29)23-8-11-28/h4-5,12-15,28H,2-3,6-11H2,1H3,(H,23,29)
InChIKeyNLIRAWGAOHPWGL-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.49
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide

N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 153352061) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID153352061
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC NameN-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide
SMILESCCCC1CCN(c2ncc(-c3nc4ccc(C(=O)NCCO)cc4s3)cn2)CC1
InChIInChI=1S/C22H27N5O2S/c1-2-3-15-6-9-27(10-7-15)22-24-13-17(14-25-22)21-26-18-5-4-16(12-19(18)30-21)20(29)23-8-11-28/h4-5,12-15,28H,2-3,6-11H2,1H3,(H,23,29)
InChIKeyNLIRAWGAOHPWGL-UHFFFAOYSA-N
XLogP3.49
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 5210335
1-[2-[6-(4-ethylpiperidin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]prop-2-en-1-one
CID 143516856
1-[5-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methyl]-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
CID 158631586
2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide
CID 109246476
1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
CID 67806870
1-[5-(1,3-benzothiazol-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 167985106
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 20889662
2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 117084994
N-(2-hydroxyethyl)-4-[1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]benzotriazol-5-yl]benzamide
CID 57405422
[1-[5-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-2-pyridinyl]piperidin-4-yl]methanol;2-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-5-yl]-1,3-benzothiazol-6-ol
CID 146172104
2-(6-morpholin-4-yl-3-pyridinyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 117093864
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-5-carboxamide
CID 27089017

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide (CID 153352061) is N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide is CCCC1CCN(c2ncc(-c3nc4ccc(C(=O)NCCO)cc4s3)cn2)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is NLIRAWGAOHPWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-2-3-15-6-9-27(10-7-15)22-24-13-17(14-25-22)21-26-18-5-4-16(12-19(18)30-21)20(29)23-8-11-28/h4-5,12-15,28H,2-3,6-11H2,1H3,(H,23,29).
What are the key properties of N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide?
N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 153352061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).