1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea

C14H25N3O2S — CID 111796900

IUPAC1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
SMILESCCc1cnc(C(C)NC(=O)NCC(O)C(C)(C)C)s1
InChIInChI=1S/C14H25N3O2S/c1-6-10-7-15-12(20-10)9(2)17-13(19)16-8-11(18)14(3,4)5/h7,9,11,18H,6,8H2,1-5H3,(H2,16,17,19)
InChIKeyMRIOHOJEQYWWLR-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.47
Rot. Bonds5

About 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea

1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea (PubChem CID 111796900) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
PubChem CID111796900
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
SMILESCCc1cnc(C(C)NC(=O)NCC(O)C(C)(C)C)s1
InChIInChI=1S/C14H25N3O2S/c1-6-10-7-15-12(20-10)9(2)17-13(19)16-8-11(18)14(3,4)5/h7,9,11,18H,6,8H2,1-5H3,(H2,16,17,19)
InChIKeyMRIOHOJEQYWWLR-UHFFFAOYSA-N
XLogP2.47
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-2,5-dimethylhexyl)urea
CID 111796846
1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea
CID 111796850
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 113267212
1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea
CID 99792957
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-(2-methylpropyl)propanamide
CID 115679811
(2S,3S)-2-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpentanamide
CID 103833289
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 113267211
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740581
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
CID 115679819
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea
CID 86792727

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The IUPAC name of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea (CID 111796900) is 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea.
What is the SMILES notation for 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The canonical SMILES for 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea is CCc1cnc(C(C)NC(=O)NCC(O)C(C)(C)C)s1.
What is the InChIKey of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The InChIKey is MRIOHOJEQYWWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-6-10-7-15-12(20-10)9(2)17-13(19)16-8-11(18)14(3,4)5/h7,9,11,18H,6,8H2,1-5H3,(H2,16,17,19).
What are the key properties of 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea has a molecular weight of 299.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea is sourced from PubChem (CID 111796900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).