N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide

C20H15ClN4O3S — CID 90126749

IUPACN-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(-c2ncc([C@H](O)CO)cc2Cl)cn1
InChIInChI=1S/C20H15ClN4O3S/c21-13-7-12(16(27)10-26)9-23-18(13)11-5-6-15(22-8-11)19(28)25-20-24-14-3-1-2-4-17(14)29-20/h1-9,16,26-27H,10H2,(H,24,25,28)/t16-/m1/s1
InChIKeyJDHRCDRCKJWEPX-MRXNPFEDSA-N
MW426.89 g/mol
LogP3.68
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide

N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 90126749) has the molecular formula C20H15ClN4O3S and a molecular weight of 426.89 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide
PubChem CID90126749
Molecular FormulaC20H15ClN4O3S
Molecular Weight426.89 g/mol
Exact Mass426.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(-c2ncc([C@H](O)CO)cc2Cl)cn1
InChIInChI=1S/C20H15ClN4O3S/c21-13-7-12(16(27)10-26)9-23-18(13)11-5-6-15(22-8-11)19(28)25-20-24-14-3-1-2-4-17(14)29-20/h1-9,16,26-27H,10H2,(H,24,25,28)/t16-/m1/s1
InChIKeyJDHRCDRCKJWEPX-MRXNPFEDSA-N
XLogP3.68
TPSA108.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-yl)-5-[3-fluoro-5-[(1R)-1-hydroxypropyl]-2-pyridinyl]pyridine-2-carboxamide
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CID 90126781
N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
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N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
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N-(1,3-benzothiazol-2-yl)-2-hydroxybutanamide;silver
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CID 52687935
3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
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2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide (CID 90126749) is N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide is O=C(Nc1nc2ccccc2s1)c1ccc(-c2ncc([C@H](O)CO)cc2Cl)cn1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is JDHRCDRCKJWEPX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H15ClN4O3S/c21-13-7-12(16(27)10-26)9-23-18(13)11-5-6-15(22-8-11)19(28)25-20-24-14-3-1-2-4-17(14)29-20/h1-9,16,26-27H,10H2,(H,24,25,28)/t16-/m1/s1.
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 426.89 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 90126749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).