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

C13H23N3O2S — CID 110930009

IUPAC1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCCCN(CCO)C(=O)NC(C)c1nc(C)cs1
InChIInChI=1S/C13H23N3O2S/c1-4-5-6-16(7-8-17)13(18)15-11(3)12-14-10(2)9-19-12/h9,11,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyAOIDPCSHDJSUGC-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.32
Rot. Bonds7

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

1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 110930009) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID110930009
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCCCN(CCO)C(=O)NC(C)c1nc(C)cs1
InChIInChI=1S/C13H23N3O2S/c1-4-5-6-16(7-8-17)13(18)15-11(3)12-14-10(2)9-19-12/h9,11,17H,4-8H2,1-3H3,(H,15,18)
InChIKeyAOIDPCSHDJSUGC-UHFFFAOYSA-N
XLogP2.32
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea
CID 60781183
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
1-(cyclopropylmethyl)-3-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
CID 97073699
1-benzyl-1-(2,2-difluoroethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 75379982
1-butyl-3-[1-(4-cyanophenyl)ethyl]-1-(2-hydroxyethyl)urea
CID 110896568
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 110930009) is 1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is CCCCN(CCO)C(=O)NC(C)c1nc(C)cs1.
What is the InChIKey of 1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is AOIDPCSHDJSUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-5-6-16(7-8-17)13(18)15-11(3)12-14-10(2)9-19-12/h9,11,17H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 285.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(2-hydroxyethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 110930009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).