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

C14H25N3O2S — CID 111796850

IUPAC1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCc1cnc(C(C)NC(=O)NCC(O)(CC)CC)s1
InChIInChI=1S/C14H25N3O2S/c1-5-11-8-15-12(20-11)10(4)17-13(18)16-9-14(19,6-2)7-3/h8,10,19H,5-7,9H2,1-4H3,(H2,16,17,18)
InChIKeySAEBGZAHLRTNRK-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.62
Rot. Bonds7

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

1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 111796850) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID111796850
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCc1cnc(C(C)NC(=O)NCC(O)(CC)CC)s1
InChIInChI=1S/C14H25N3O2S/c1-5-11-8-15-12(20-11)10(4)17-13(18)16-9-14(19,6-2)7-3/h8,10,19H,5-7,9H2,1-4H3,(H2,16,17,18)
InChIKeySAEBGZAHLRTNRK-UHFFFAOYSA-N
XLogP2.62
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.62
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-(2-hydroxy-2,5-dimethylhexyl)urea
CID 111796846
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-3,3-dimethylbutyl)urea
CID 111796900
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[[(1R,3S)-3-hydroxycyclopentyl]methyl]urea
CID 99792957
3-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 113267212
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-methylpropan-2-ol
CID 115679819
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113251523
(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
1-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115734764
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-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea (CID 111796850) is 1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea is CCc1cnc(C(C)NC(=O)NCC(O)(CC)CC)s1.
What is the InChIKey of 1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is SAEBGZAHLRTNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-11-8-15-12(20-11)10(4)17-13(18)16-9-14(19,6-2)7-3/h8,10,19H,5-7,9H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea?
1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 299.44 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxybutyl)-3-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 111796850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).