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

C15H20N4OS2 — CID 128858664

IUPAC3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CN(C)C(=O)Nc2nc3c(s2)CCC3(C)C)s1
InChIInChI=1S/C15H20N4OS2/c1-9-16-7-10(21-9)8-19(4)14(20)18-13-17-12-11(22-13)5-6-15(12,2)3/h7H,5-6,8H2,1-4H3,(H,17,18,20)
InChIKeyBCCSIUILBHTKBW-UHFFFAOYSA-N
MW336.49 g/mol
LogP3.80
Rot. Bonds3

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

3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 128858664) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID128858664
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CN(C)C(=O)Nc2nc3c(s2)CCC3(C)C)s1
InChIInChI=1S/C15H20N4OS2/c1-9-16-7-10(21-9)8-19(4)14(20)18-13-17-12-11(22-13)5-6-15(12,2)3/h7H,5-6,8H2,1-4H3,(H,17,18,20)
InChIKeyBCCSIUILBHTKBW-UHFFFAOYSA-N
XLogP3.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 128858664) is 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CN(C)C(=O)Nc2nc3c(s2)CCC3(C)C)s1.
What is the InChIKey of 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is BCCSIUILBHTKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-9-16-7-10(21-9)8-19(4)14(20)18-13-17-12-11(22-13)5-6-15(12,2)3/h7H,5-6,8H2,1-4H3,(H,17,18,20).
What are the key properties of 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 336.49 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 128858664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).