2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole

C6H11N3S — CID 57037250

IUPAC2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole
SMILESC1CSC(N2CCNC2)=N1
InChIInChI=1S/C6H11N3S/c1-3-9(5-7-1)6-8-2-4-10-6/h7H,1-5H2
InChIKeyRSXSDYIXBGZQLU-UHFFFAOYSA-N
MW157.24 g/mol
LogP-0.05
Rot. Bonds

About 2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole

2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole (PubChem CID 57037250) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole
PubChem CID57037250
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole
SMILESC1CSC(N2CCNC2)=N1
InChIInChI=1S/C6H11N3S/c1-3-9(5-7-1)6-8-2-4-10-6/h7H,1-5H2
InChIKeyRSXSDYIXBGZQLU-UHFFFAOYSA-N
XLogP-0.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole (CID 57037250) is 2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole is C1CSC(N2CCNC2)=N1.
What is the InChIKey of 2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is RSXSDYIXBGZQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-3-9(5-7-1)6-8-2-4-10-6/h7H,1-5H2.
What are the key properties of 2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole?
2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 157.24 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazolidin-1-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 57037250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).