[2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone

C15H23N5OS2 — CID 3719016

IUPAC[2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone
SMILESCSCCC(N)c1nc(C(=O)N2CCCN3CCCN=C32)cs1
InChIInChI=1S/C15H23N5OS2/c1-22-9-4-11(16)13-18-12(10-23-13)14(21)20-8-3-7-19-6-2-5-17-15(19)20/h10-11H,2-9,16H2,1H3
InChIKeyLRZCUYCVBYLSOZ-UHFFFAOYSA-N
MW353.52 g/mol
LogP1.80
Rot. Bonds5

About [2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone

[2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone (PubChem CID 3719016) has the molecular formula C15H23N5OS2 and a molecular weight of 353.52 g/mol. Its IUPAC name is [2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone
PubChem CID3719016
Molecular FormulaC15H23N5OS2
Molecular Weight353.52 g/mol
Exact Mass353.13
IUPAC Name[2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone
SMILESCSCCC(N)c1nc(C(=O)N2CCCN3CCCN=C32)cs1
InChIInChI=1S/C15H23N5OS2/c1-22-9-4-11(16)13-18-12(10-23-13)14(21)20-8-3-7-19-6-2-5-17-15(19)20/h10-11H,2-9,16H2,1H3
InChIKeyLRZCUYCVBYLSOZ-UHFFFAOYSA-N
XLogP1.80
TPSA74.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.52
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone with MolForge

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Related Compounds

[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone
CID 3775706
2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide
CID 3861951
2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 3863772
[2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 3746469
2-(1-amino-3-methylsulfanylpropyl)-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4680245
[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 3713443
2-(1-amino-3-methylsulfanylpropyl)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 4597088
2-(1-amino-3-methylsulfanylpropyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3852970
[2-(1-aminopropyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 3834282
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 66389919
(3S,8aS)-2-[2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazole-4-carbonyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137340989
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66389634

Frequently Asked Questions

What is the IUPAC name of [2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone?
The IUPAC name of [2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone (CID 3719016) is [2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone.
What is the SMILES notation for [2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone?
The canonical SMILES for [2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone is CSCCC(N)c1nc(C(=O)N2CCCN3CCCN=C32)cs1.
What is the InChIKey of [2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone?
The InChIKey is LRZCUYCVBYLSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS2/c1-22-9-4-11(16)13-18-12(10-23-13)14(21)20-8-3-7-19-6-2-5-17-15(19)20/h10-11H,2-9,16H2,1H3.
What are the key properties of [2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone?
[2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone has a molecular weight of 353.52 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-amino-3-methylsulfanylpropyl)-1,3-thiazol-4-yl]-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)methanone is sourced from PubChem (CID 3719016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).