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

C10H15N3OS — CID 128858592

IUPAC1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-methylurea
SMILESCNC(=O)Nc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C10H15N3OS/c1-10(2)5-4-6-7(10)12-9(15-6)13-8(14)11-3/h4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyMSFAMBHSULEKMN-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.12
Rot. Bonds1

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

1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-methylurea (PubChem CID 128858592) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-methylurea
PubChem CID128858592
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-methylurea
SMILESCNC(=O)Nc1nc2c(s1)CCC2(C)C
InChIInChI=1S/C10H15N3OS/c1-10(2)5-4-6-7(10)12-9(15-6)13-8(14)11-3/h4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyMSFAMBHSULEKMN-UHFFFAOYSA-N
XLogP2.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-methylurea?
The IUPAC name of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-methylurea (CID 128858592) is 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-methylurea.
What is the SMILES notation for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-methylurea?
The canonical SMILES for 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-methylurea is CNC(=O)Nc1nc2c(s1)CCC2(C)C.
What is the InChIKey of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-methylurea?
The InChIKey is MSFAMBHSULEKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-10(2)5-4-6-7(10)12-9(15-6)13-8(14)11-3/h4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-methylurea?
1-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-methylurea has a molecular weight of 225.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 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-methylurea is sourced from PubChem (CID 128858592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).