6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide

C20H18ClN3O2S — CID 166212443

IUPAC6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NCCc1nc(-c2ccncc2)cs1)C1CCOc2ccc(Cl)cc21
InChIInChI=1S/C20H18ClN3O2S/c21-14-1-2-18-16(11-14)15(6-10-26-18)20(25)23-9-5-19-24-17(12-27-19)13-3-7-22-8-4-13/h1-4,7-8,11-12,15H,5-6,9-10H2,(H,23,25)
InChIKeyXFHLXTBZUISKDR-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.08
Rot. Bonds5

About 6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide

6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 166212443) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is 6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID166212443
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(NCCc1nc(-c2ccncc2)cs1)C1CCOc2ccc(Cl)cc21
InChIInChI=1S/C20H18ClN3O2S/c21-14-1-2-18-16(11-14)15(6-10-26-18)20(25)23-9-5-19-24-17(12-27-19)13-3-7-22-8-4-13/h1-4,7-8,11-12,15H,5-6,9-10H2,(H,23,25)
InChIKeyXFHLXTBZUISKDR-UHFFFAOYSA-N
XLogP4.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 166222792
1-(3-chlorophenyl)-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317792
(4R)-6-chloro-N-(2,6-naphthyridin-4-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 156906883
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110317818
(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 124758437
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide
CID 56520297
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
ethyl 2-oxo-2-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]acetate
CID 110317808
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide
CID 119875478
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]oxolane-2-carboxamide
CID 52985500

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of 6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 166212443) is 6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide is O=C(NCCc1nc(-c2ccncc2)cs1)C1CCOc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is XFHLXTBZUISKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c21-14-1-2-18-16(11-14)15(6-10-26-18)20(25)23-9-5-19-24-17(12-27-19)13-3-7-22-8-4-13/h1-4,7-8,11-12,15H,5-6,9-10H2,(H,23,25).
What are the key properties of 6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide?
6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 399.90 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 166212443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).