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

C11H19N3OS — CID 115609023

IUPAC1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCN(CC)C(=O)NC(C)c1nc(C)cs1
InChIInChI=1S/C11H19N3OS/c1-5-14(6-2)11(15)13-9(4)10-12-8(3)7-16-10/h7,9H,5-6H2,1-4H3,(H,13,15)
InChIKeyRYSAANCHYSJZBW-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.56
Rot. Bonds4

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

1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 115609023) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID115609023
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCN(CC)C(=O)NC(C)c1nc(C)cs1
InChIInChI=1S/C11H19N3OS/c1-5-14(6-2)11(15)13-9(4)10-12-8(3)7-16-10/h7,9H,5-6H2,1-4H3,(H,13,15)
InChIKeyRYSAANCHYSJZBW-UHFFFAOYSA-N
XLogP2.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 110930009
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
1-benzyl-1-(2,2-difluoroethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 75379982
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
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
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
2-(2-methoxyethoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 103642136

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 115609023) is 1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is CCN(CC)C(=O)NC(C)c1nc(C)cs1.
What is the InChIKey of 1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is RYSAANCHYSJZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-5-14(6-2)11(15)13-9(4)10-12-8(3)7-16-10/h7,9H,5-6H2,1-4H3,(H,13,15).
What are the key properties of 1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 241.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 115609023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).