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

C15H22N4OS2 — CID 71878365

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc(C(C)NC(=O)N(C)C(C)c2sc(C)nc2C)n1
InChIInChI=1S/C15H22N4OS2/c1-8-7-21-14(16-8)10(3)18-15(20)19(6)11(4)13-9(2)17-12(5)22-13/h7,10-11H,1-6H3,(H,18,20)
InChIKeyXFSNCBRYHVIBRF-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.99
Rot. Bonds4

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

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 71878365) has the molecular formula C15H22N4OS2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID71878365
Molecular FormulaC15H22N4OS2
Molecular Weight338.50 g/mol
Exact Mass338.12
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCc1csc(C(C)NC(=O)N(C)C(C)c2sc(C)nc2C)n1
InChIInChI=1S/C15H22N4OS2/c1-8-7-21-14(16-8)10(3)18-15(20)19(6)11(4)13-9(2)17-12(5)22-13/h7,10-11H,1-6H3,(H,18,20)
InChIKeyXFSNCBRYHVIBRF-UHFFFAOYSA-N
XLogP3.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
N,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 20655939
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 143571852
2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylacetamide
CID 119881804
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62822382
1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 110930009
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119881810
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 71878365) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1csc(C(C)NC(=O)N(C)C(C)c2sc(C)nc2C)n1.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is XFSNCBRYHVIBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS2/c1-8-7-21-14(16-8)10(3)18-15(20)19(6)11(4)13-9(2)17-12(5)22-13/h7,10-11H,1-6H3,(H,18,20).
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 338.50 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 71878365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).