1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C13H17N5O2S — CID 128858809

IUPAC1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)Nc2nc3c(s2)CCC3(C)C)no1
InChIInChI=1S/C13H17N5O2S/c1-7-15-9(18-20-7)6-14-11(19)17-12-16-10-8(21-12)4-5-13(10,2)3/h4-6H2,1-3H3,(H2,14,16,17,19)
InChIKeyMZMFFSUUOJIYJZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.38
Rot. Bonds3

About 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 128858809) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
PubChem CID128858809
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
SMILESCc1nc(CNC(=O)Nc2nc3c(s2)CCC3(C)C)no1
InChIInChI=1S/C13H17N5O2S/c1-7-15-9(18-20-7)6-14-11(19)17-12-16-10-8(21-12)4-5-13(10,2)3/h4-6H2,1-3H3,(H2,14,16,17,19)
InChIKeyMZMFFSUUOJIYJZ-UHFFFAOYSA-N
XLogP2.38
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The IUPAC name of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 128858809) is 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The canonical SMILES for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is Cc1nc(CNC(=O)Nc2nc3c(s2)CCC3(C)C)no1.
What is the InChIKey of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
The InChIKey is MZMFFSUUOJIYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-7-15-9(18-20-7)6-14-11(19)17-12-16-10-8(21-12)4-5-13(10,2)3/h4-6H2,1-3H3,(H2,14,16,17,19).
What are the key properties of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?
1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 307.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 128858809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).