1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea

C12H14N6OS2 — CID 29212670

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
SMILESO=C(NCc1cn2c(n1)SCC2)Nc1nnc(C2CC2)s1
InChIInChI=1S/C12H14N6OS2/c19-10(15-11-17-16-9(21-11)7-1-2-7)13-5-8-6-18-3-4-20-12(18)14-8/h6-7H,1-5H2,(H2,13,15,17,19)
InChIKeyWNWYXLGDAUPOPF-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.04
Rot. Bonds4

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea (PubChem CID 29212670) has the molecular formula C12H14N6OS2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
PubChem CID29212670
Molecular FormulaC12H14N6OS2
Molecular Weight322.42 g/mol
Exact Mass322.07
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
SMILESO=C(NCc1cn2c(n1)SCC2)Nc1nnc(C2CC2)s1
InChIInChI=1S/C12H14N6OS2/c19-10(15-11-17-16-9(21-11)7-1-2-7)13-5-8-6-18-3-4-20-12(18)14-8/h6-7H,1-5H2,(H2,13,15,17,19)
InChIKeyWNWYXLGDAUPOPF-UHFFFAOYSA-N
XLogP2.04
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea (CID 29212670) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea is O=C(NCc1cn2c(n1)SCC2)Nc1nnc(C2CC2)s1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
The InChIKey is WNWYXLGDAUPOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS2/c19-10(15-11-17-16-9(21-11)7-1-2-7)13-5-8-6-18-3-4-20-12(18)14-8/h6-7H,1-5H2,(H2,13,15,17,19).
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea has a molecular weight of 322.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea is sourced from PubChem (CID 29212670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).