1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium

C6H10N3OS+ — CID 162275607

IUPAC1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium
SMILESC1=[NH+]CCS1.O=C1CN=CN1
InChIInChI=1S/C3H4N2O.C3H5NS/c6-3-1-4-2-5-3;1-2-5-3-4-1/h2H,1H2,(H,4,5,6);3H,1-2H2/p+1
InChIKeyTTZAXPIQWBXDTQ-UHFFFAOYSA-O
MW172.23 g/mol
LogP-2.01
Rot. Bonds

About 1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium

1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium (PubChem CID 162275607) has the molecular formula C6H10N3OS+ and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium.

Molecular Properties

Compound Name1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium
PubChem CID162275607
Molecular FormulaC6H10N3OS+
Molecular Weight172.23 g/mol
Exact Mass172.05
IUPAC Name1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium
SMILESC1=[NH+]CCS1.O=C1CN=CN1
InChIInChI=1S/C3H4N2O.C3H5NS/c6-3-1-4-2-5-3;1-2-5-3-4-1/h2H,1H2,(H,4,5,6);3H,1-2H2/p+1
InChIKeyTTZAXPIQWBXDTQ-UHFFFAOYSA-O
XLogP-2.01
TPSA55.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,5-Dihydrothiazol-2-yl)amino]acetamide
CID 29068061
1,4-Dihydroimidazol-5-one;ethane;2-methyl-4,5-dihydro-1,3-thiazole
CID 145509607
2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-methylacetamide
CID 43310666
2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N,N-dimethylacetamide
CID 43311088
2-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide
CID 43439598
N-methyl-2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide
CID 43440150
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]acetamide
CID 43552952
2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide
CID 43566541
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide
CID 45057145
2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 54776379
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
CID 91990518
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyloxamide
CID 108526178

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium?
The IUPAC name of 1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium (CID 162275607) is 1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium.
What is the SMILES notation for 1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium?
The canonical SMILES for 1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium is C1=[NH+]CCS1.O=C1CN=CN1.
What is the InChIKey of 1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium?
The InChIKey is TTZAXPIQWBXDTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4N2O.C3H5NS/c6-3-1-4-2-5-3;1-2-5-3-4-1/h2H,1H2,(H,4,5,6);3H,1-2H2/p+1.
What are the key properties of 1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium?
1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium has a molecular weight of 172.23 g/mol, XLogP of -2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroimidazol-5-one;4,5-dihydro-1,3-thiazol-3-ium is sourced from PubChem (CID 162275607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).