N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide

C15H19N3OS — CID 106362736

IUPACN-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2=NC3CCCC3CS2)c1
InChIInChI=1S/C15H19N3OS/c1-10(19)16-12-5-3-6-13(8-12)17-15-18-14-7-2-4-11(14)9-20-15/h3,5-6,8,11,14H,2,4,7,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyHSYBXPHXDKOUAU-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.33
Rot. Bonds2

About N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide

N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide (PubChem CID 106362736) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide
PubChem CID106362736
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC2=NC3CCCC3CS2)c1
InChIInChI=1S/C15H19N3OS/c1-10(19)16-12-5-3-6-13(8-12)17-15-18-14-7-2-4-11(14)9-20-15/h3,5-6,8,11,14H,2,4,7,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyHSYBXPHXDKOUAU-UHFFFAOYSA-N
XLogP3.33
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 43439901
N-(4-bromo-3-fluorophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363400
N-(3-chloro-4-methoxyphenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362626
N-(4-chloro-3-methoxyphenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363834
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362708
N-[3-(3-thia-1-azaspiro[4.4]non-1-en-2-ylamino)phenyl]acetamide
CID 62524825
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-(7-thia-9-azaspiro[4.5]dec-8-en-8-ylamino)phenyl]acetamide
CID 115361118
N-(3-bromo-2-methylphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363835
N-(2,4,6-trichlorophenyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106362533
methyl 2-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)-2-phenylacetate
CID 106363178
N-(2-tert-butylphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363353

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide?
The IUPAC name of N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide (CID 106362736) is N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide is CC(=O)Nc1cccc(NC2=NC3CCCC3CS2)c1.
What is the InChIKey of N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide?
The InChIKey is HSYBXPHXDKOUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(19)16-12-5-3-6-13(8-12)17-15-18-14-7-2-4-11(14)9-20-15/h3,5-6,8,11,14H,2,4,7,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide?
N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide has a molecular weight of 289.40 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-ylamino)phenyl]acetamide is sourced from PubChem (CID 106362736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).