N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide

C19H19ClN4OS — CID 66860495

IUPACN-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide
SMILESNC1=N[C@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)CCC[C@H]2CS1
InChIInChI=1S/C19H19ClN4OS/c20-14-6-7-16(22-10-14)17(25)23-15-5-1-3-12(9-15)19-8-2-4-13(19)11-26-18(21)24-19/h1,3,5-7,9-10,13H,2,4,8,11H2,(H2,21,24)(H,23,25)/t13-,19-/m0/s1
InChIKeySTFSOPCHYPSBKH-DJJJIMSYSA-N
MW386.91 g/mol
LogP4.04
Rot. Bonds3

About N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide

N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide (PubChem CID 66860495) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide
PubChem CID66860495
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC NameN-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide
SMILESNC1=N[C@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)CCC[C@H]2CS1
InChIInChI=1S/C19H19ClN4OS/c20-14-6-7-16(22-10-14)17(25)23-15-5-1-3-12(9-15)19-8-2-4-13(19)11-26-18(21)24-19/h1,3,5-7,9-10,13H,2,4,8,11H2,(H2,21,24)(H,23,25)/t13-,19-/m0/s1
InChIKeySTFSOPCHYPSBKH-DJJJIMSYSA-N
XLogP4.04
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)phenyl]pyrazine-2-carboxamide
CID 76550600
N-[3-(2-amino-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[d][1,3]thiazin-9a-yl)-4-fluorophenyl]-6-chloropyridine-2-carboxamide
CID 87577526
N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)-4-fluorophenyl]-5-methylsulfanylpyrazine-2-carboxamide
CID 68779297
N-[5-[(8aS)-2-amino-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-8a-yl]-2-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 66861955
N-[3-(2-amino-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-8a-yl)-4-fluorophenyl]-6-chloropyridazine-3-carboxamide
CID 76576827
N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl)-4-fluorophenyl]-6-chloroimidazo[1,2-a]pyridine-2-carboxamide
CID 70258875
N-[3-[(8aS)-2-amino-4,4a,5,6,7,8-hexahydro-3,1-benzoxazin-8a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 53251519
N-[3-[(8aS)-2-amino-4a,5,7,8-tetrahydro-4H-pyrano[3,4-e][1,3]thiazin-8a-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 66847791
N-[3-[(4aR,9aS)-2-amino-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[d][1,3]thiazin-9a-yl]-4-fluorophenyl]-5-(1,2-difluoroethoxy)pyrazine-2-carboxamide
CID 118033407
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 50991585
N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 59570586
[(8aS)-8a-(3-aminophenyl)-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-yl]carbamic acid
CID 122658574

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide (CID 66860495) is N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide is NC1=N[C@]2(c3cccc(NC(=O)c4ccc(Cl)cn4)c3)CCC[C@H]2CS1.
What is the InChIKey of N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is STFSOPCHYPSBKH-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c20-14-6-7-16(22-10-14)17(25)23-15-5-1-3-12(9-15)19-8-2-4-13(19)11-26-18(21)24-19/h1,3,5-7,9-10,13H,2,4,8,11H2,(H2,21,24)(H,23,25)/t13-,19-/m0/s1.
What are the key properties of N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide?
N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 66860495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).