2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine

C6H9N4S+ — CID 13285548

IUPAC2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine
SMILESNc1cc(N)[n+]2c(n1)SCC2
InChIInChI=1S/C6H8N4S/c7-4-3-5(8)10-1-2-11-6(10)9-4/h3H,1-2H2,(H3,7,8)/p+1
InChIKeyTVPGRDGSKMRKRP-UHFFFAOYSA-O
MW169.23 g/mol
LogP-0.36
Rot. Bonds

About 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine

2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine (PubChem CID 13285548) has the molecular formula C6H9N4S+ and a molecular weight of 169.23 g/mol. Its IUPAC name is 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine.

Molecular Properties

Compound Name2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine
PubChem CID13285548
Molecular FormulaC6H9N4S+
Molecular Weight169.23 g/mol
Exact Mass169.05
IUPAC Name2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine
SMILESNc1cc(N)[n+]2c(n1)SCC2
InChIInChI=1S/C6H8N4S/c7-4-3-5(8)10-1-2-11-6(10)9-4/h3H,1-2H2,(H3,7,8)/p+1
InChIKeyTVPGRDGSKMRKRP-UHFFFAOYSA-O
XLogP-0.36
TPSA68.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-Piperidin-1-yl-ethylsulfanyl)-pyrimidine-4,6-diamine
CID 649133
Thiazolo(3,2-a)pyrimidin-4-ium, 2,3-dihydro-5,7-diamino-, bromide
CID 13285547
2H-Pyrimido(2,1-b)thiazin-5-ium, 3,4-dihydro-6,8-diamino-, chloride
CID 13285549
N4,N4-dimethyl-2-(methylthio)pyrimidine-4,6-diamine
CID 816994
2-methylthio-4-amino-6-(N-methylcyanamino)pyrimidine
CID 13407236
6,8-diamino-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-5-ium
CID 3702829
2-(2-Fluoroethylsulfanyl)pyrimidine-4,6-diamine
CID 79026182
2-{[2-(Dimethylamino)ethyl]sulfanyl}-6-imino-1,6-dihydropyrimidin-4-amine
CID 823523
7-Methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-amine bromide
CID 126478658
2-ethylsulfanyl-4-N,4-N,6-N-trimethylpyrimidine-4,6-diamine
CID 166001027
2,3-Dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
CID 586979
2-(Ethylthio)pyrimidine-4,6-diamine
CID 865019

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine?
The IUPAC name of 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine (CID 13285548) is 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine.
What is the SMILES notation for 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine?
The canonical SMILES for 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine is Nc1cc(N)[n+]2c(n1)SCC2.
What is the InChIKey of 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine?
The InChIKey is TVPGRDGSKMRKRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N4S/c7-4-3-5(8)10-1-2-11-6(10)9-4/h3H,1-2H2,(H3,7,8)/p+1.
What are the key properties of 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine?
2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine has a molecular weight of 169.23 g/mol, XLogP of -0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5,7-diamine is sourced from PubChem (CID 13285548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).