N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane

C20H23ClN4O2S — CID 143933560

IUPACN-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane
SMILESCC.NC1=NC2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)CCS1
InChIInChI=1S/C18H17ClN4O2S.C2H6/c19-11-1-3-14(21-10-11)16(24)22-12-2-4-15-13(9-12)18(5-7-25-15)6-8-26-17(20)23-18;1-2/h1-4,9-10H,5-8H2,(H2,20,23)(H,22,24);1-2H3
InChIKeyTXQCHZKXODCFTG-UHFFFAOYSA-N
MW418.95 g/mol
LogP4.44
Rot. Bonds2

About N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane

N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane (PubChem CID 143933560) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane.

Molecular Properties

Compound NameN-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane
PubChem CID143933560
Molecular FormulaC20H23ClN4O2S
Molecular Weight418.95 g/mol
Exact Mass418.12
IUPAC NameN-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane
SMILESCC.NC1=NC2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)CCS1
InChIInChI=1S/C18H17ClN4O2S.C2H6/c19-11-1-3-14(21-10-11)16(24)22-12-2-4-15-13(9-12)18(5-7-25-15)6-8-26-17(20)23-18;1-2/h1-4,9-10H,5-8H2,(H2,20,23)(H,22,24);1-2H3
InChIKeyTXQCHZKXODCFTG-UHFFFAOYSA-N
XLogP4.44
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide
CID 44626066
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5H-1,3-thiazole]-6-yl)-5-(cyanomethyl)pyridine-2-carboxamide
CID 166069660
tert-butyl N-[(4R)-6-[(5-chloropyridine-2-carbonyl)amino]-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-3'-yl]carbamate
CID 122535441
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59374722
N-(2-amino-3'-bromospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl)-5-chloropyridine-2-carboxamide
CID 78104844
N-[(4S)-2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 71542621
N-[3-[(4aS,5S,8aS)-2-amino-5-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 67952281
N-[3-[(4aR,5S,8aR)-2-amino-5-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 67952280
N-[2-amino-3'-(3,3-dimethylbut-1-ynyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 78105292
N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide
CID 59250351
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(oxetan-2-ylmethoxy)pyrazine-2-carboxamide
CID 59250583
N-[(4R)-3'-amino-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-6-yl]-5-methoxypyrazine-2-carboxamide
CID 122535435

Frequently Asked Questions

What is the IUPAC name of N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane?
The IUPAC name of N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane (CID 143933560) is N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane.
What is the SMILES notation for N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane?
The canonical SMILES for N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane is CC.NC1=NC2(CCOc3ccc(NC(=O)c4ccc(Cl)cn4)cc32)CCS1.
What is the InChIKey of N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane?
The InChIKey is TXQCHZKXODCFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S.C2H6/c19-11-1-3-14(21-10-11)16(24)22-12-2-4-15-13(9-12)18(5-7-25-15)6-8-26-17(20)23-18;1-2/h1-4,9-10H,5-8H2,(H2,20,23)(H,22,24);1-2H3.
What are the key properties of N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane?
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane has a molecular weight of 418.95 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane is sourced from PubChem (CID 143933560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).