1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea

C13H15N5O2S — CID 154770411

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea
SMILESCn1cnc(NC(=O)NCc2nc3c(s2)CCC3)cc1=O
InChIInChI=1S/C13H15N5O2S/c1-18-7-15-10(5-12(18)19)17-13(20)14-6-11-16-8-3-2-4-9(8)21-11/h5,7H,2-4,6H2,1H3,(H2,14,17,20)
InChIKeyOYBIWFBJUJCWOL-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.05
Rot. Bonds3

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea (PubChem CID 154770411) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea
PubChem CID154770411
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea
SMILESCn1cnc(NC(=O)NCc2nc3c(s2)CCC3)cc1=O
InChIInChI=1S/C13H15N5O2S/c1-18-7-15-10(5-12(18)19)17-13(20)14-6-11-16-8-3-2-4-9(8)21-11/h5,7H,2-4,6H2,1H3,(H2,14,17,20)
InChIKeyOYBIWFBJUJCWOL-UHFFFAOYSA-N
XLogP1.05
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea (CID 154770411) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea is Cn1cnc(NC(=O)NCc2nc3c(s2)CCC3)cc1=O.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea?
The InChIKey is OYBIWFBJUJCWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-18-7-15-10(5-12(18)19)17-13(20)14-6-11-16-8-3-2-4-9(8)21-11/h5,7H,2-4,6H2,1H3,(H2,14,17,20).
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea has a molecular weight of 305.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-3-(1-methyl-6-oxopyrimidin-4-yl)urea is sourced from PubChem (CID 154770411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).