N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

C13H19N3S2 — CID 114179100

IUPACN-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCC(C)(NC1=NC2CCCC2CS1)c1nccs1
InChIInChI=1S/C13H19N3S2/c1-13(2,11-14-6-7-17-11)16-12-15-10-5-3-4-9(10)8-18-12/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyZSVUNPPRZUQKOS-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.24
Rot. Bonds2

About N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine

N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (PubChem CID 114179100) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
PubChem CID114179100
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
SMILESCC(C)(NC1=NC2CCCC2CS1)c1nccs1
InChIInChI=1S/C13H19N3S2/c1-13(2,11-14-6-7-17-11)16-12-15-10-5-3-4-9(10)8-18-12/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyZSVUNPPRZUQKOS-UHFFFAOYSA-N
XLogP3.24
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine with MolForge

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Related Compounds

N-(3-ethylpentan-3-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363396
4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352465
N-(3-ethylpentan-3-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 114178995
N-(3,3-dimethylbutan-2-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363664
N-(1-thiophen-2-ylpropyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 114178930
3-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]cyclohexan-1-amine
CID 115907245
N-(1-phenylethyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106362593
2-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)-1,1-dimethylhydrazine
CID 106363567
N-(1-methylcyclobutyl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363703
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 106299338
N-(1-benzothiophen-5-yl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363404
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-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine (CID 114179100) is N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is CC(C)(NC1=NC2CCCC2CS1)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
The InChIKey is ZSVUNPPRZUQKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-13(2,11-14-6-7-17-11)16-12-15-10-5-3-4-9(10)8-18-12/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine?
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine has a molecular weight of 281.45 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine is sourced from PubChem (CID 114179100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).