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

C13H23N3O2S — CID 111455461

IUPAC1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
SMILESCCc1nc(C(C)NC(=O)NC(CC)CCO)cs1
InChIInChI=1S/C13H23N3O2S/c1-4-10(6-7-17)15-13(18)14-9(3)11-8-19-12(5-2)16-11/h8-10,17H,4-7H2,1-3H3,(H2,14,15,18)
InChIKeyWUHXBICNNFHPAE-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.23
Rot. Bonds7

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

1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111455461) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
PubChem CID111455461
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
SMILESCCc1nc(C(C)NC(=O)NC(CC)CCO)cs1
InChIInChI=1S/C13H23N3O2S/c1-4-10(6-7-17)15-13(18)14-9(3)11-8-19-12(5-2)16-11/h8-10,17H,4-7H2,1-3H3,(H2,14,15,18)
InChIKeyWUHXBICNNFHPAE-UHFFFAOYSA-N
XLogP2.23
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111117313
3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618866
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438791
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426894
2-cyclopentyl-N-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 95620387
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111334655
3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 115748046
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 71991778
4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
CID 120596918
1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886464
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea (CID 111455461) is 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea is CCc1nc(C(C)NC(=O)NC(CC)CCO)cs1.
What is the InChIKey of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is WUHXBICNNFHPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-10(6-7-17)15-13(18)14-9(3)11-8-19-12(5-2)16-11/h8-10,17H,4-7H2,1-3H3,(H2,14,15,18).
What are the key properties of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 285.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111455461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).