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

C10H17N3O2S — CID 71867669

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea
SMILESCCc1cnc(CNC(=O)NCCCO)s1
InChIInChI=1S/C10H17N3O2S/c1-2-8-6-12-9(16-8)7-13-10(15)11-4-3-5-14/h6,14H,2-5,7H2,1H3,(H2,11,13,15)
InChIKeySXAQNHFLNXFESH-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.89
Rot. Bonds6

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

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea (PubChem CID 71867669) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea
PubChem CID71867669
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea
SMILESCCc1cnc(CNC(=O)NCCCO)s1
InChIInChI=1S/C10H17N3O2S/c1-2-8-6-12-9(16-8)7-13-10(15)11-4-3-5-14/h6,14H,2-5,7H2,1H3,(H2,11,13,15)
InChIKeySXAQNHFLNXFESH-UHFFFAOYSA-N
XLogP0.89
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[Cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 75376200
1-Cyclopropyl-1-(2-hydroxyethyl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71867996
1-(4-Hydroxy-3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71868151
3-Ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981834
1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-methylmorpholin-4-yl)propyl]urea
CID 71989956
1-[2-(5-Ethyl-1,3-thiazol-2-yl)ethyl]-3-prop-2-ynylurea
CID 71994426
N-(2,3-dihydroxypropyl)-5-ethyl-1,3-thiazole-2-carboxamide
CID 75522358
(2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide
CID 86819563
1-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 96562963
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 96565962
1-[(5-Ethyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113245452
1-[1-(5-Ethyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 115679377

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea (CID 71867669) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea is CCc1cnc(CNC(=O)NCCCO)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea?
The InChIKey is SXAQNHFLNXFESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-8-6-12-9(16-8)7-13-10(15)11-4-3-5-14/h6,14H,2-5,7H2,1H3,(H2,11,13,15).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea has a molecular weight of 243.33 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 71867669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).