1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea

C11H19N3OS — CID 70522586

IUPAC1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea
SMILESCCN(CC)C(=O)Nc1cc(C(C)C)ns1
InChIInChI=1S/C11H19N3OS/c1-5-14(6-2)11(15)12-10-7-9(8(3)4)13-16-10/h7-8H,5-6H2,1-4H3,(H,12,15)
InChIKeyGCMKUJMUDQYSOX-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.14
Rot. Bonds4

About 1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea

1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea (PubChem CID 70522586) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea
PubChem CID70522586
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea
SMILESCCN(CC)C(=O)Nc1cc(C(C)C)ns1
InChIInChI=1S/C11H19N3OS/c1-5-14(6-2)11(15)12-10-7-9(8(3)4)13-16-10/h7-8H,5-6H2,1-4H3,(H,12,15)
InChIKeyGCMKUJMUDQYSOX-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-methyl-3-(3-pentan-3-yl-1,2-thiazol-5-yl)urea
CID 70517426
2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylpropanamide
CID 103365099
1,1-diethyl-3-(2,4,5-trifluorophenyl)urea
CID 115613885
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853366
1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea
CID 47079451
2-[(3-amino-1,2-thiazol-5-yl)amino]-N,N-diethylacetamide
CID 103365275
1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea
CID 14208459
1-methyl-1-(1-methylsulfinylpropan-2-yl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
CID 91649335
2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
CID 75482430
3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
CID 82245948
3-(4-bromo-2-ethylphenyl)-1,1-diethylurea
CID 81003513
3-(2-amino-4-hydroxyphenyl)-1,1-diethylurea
CID 107698052

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea?
The IUPAC name of 1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea (CID 70522586) is 1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea is CCN(CC)C(=O)Nc1cc(C(C)C)ns1.
What is the InChIKey of 1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea?
The InChIKey is GCMKUJMUDQYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-5-14(6-2)11(15)12-10-7-9(8(3)4)13-16-10/h7-8H,5-6H2,1-4H3,(H,12,15).
What are the key properties of 1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea?
1,1-diethyl-3-(3-propan-2-yl-1,2-thiazol-5-yl)urea has a molecular weight of 241.36 g/mol, XLogP of 3.14, 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-(3-propan-2-yl-1,2-thiazol-5-yl)urea is sourced from PubChem (CID 70522586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).