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

C14H23N3O2S — CID 75518600

IUPAC1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)NCCC2CCCCO2)s1
InChIInChI=1S/C14H23N3O2S/c1-11-10-17-13(20-11)6-8-16-14(18)15-7-5-12-4-2-3-9-19-12/h10,12H,2-9H2,1H3,(H2,15,16,18)
InChIKeyPXIJUBIVNFSYEO-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.25
Rot. Bonds6

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

1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea (PubChem CID 75518600) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
PubChem CID75518600
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea
SMILESCc1cnc(CCNC(=O)NCCC2CCCCO2)s1
InChIInChI=1S/C14H23N3O2S/c1-11-10-17-13(20-11)6-8-16-14(18)15-7-5-12-4-2-3-9-19-12/h10,12H,2-9H2,1H3,(H2,15,16,18)
InChIKeyPXIJUBIVNFSYEO-UHFFFAOYSA-N
XLogP2.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(6-methyl-3-pyridinyl)methyl]-3-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97346210
1-[2-(hydroxymethyl)cyclohexyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111631178
2-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374334
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 111532899
1-[2-(furan-2-yl)ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine
CID 110050798
N-(cyclopentylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115907724
2-(5-methyl-1,3-thiazol-2-yl)ethylurea
CID 130652199
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739296
N-(cyclohexylmethyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115756917
1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]urea
CID 97340824
5-(methylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-2-carboxamide
CID 106000609
1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 110025016

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea (CID 75518600) is 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea is Cc1cnc(CCNC(=O)NCCC2CCCCO2)s1.
What is the InChIKey of 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea?
The InChIKey is PXIJUBIVNFSYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-10-17-13(20-11)6-8-16-14(18)15-7-5-12-4-2-3-9-19-12/h10,12H,2-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea?
1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea has a molecular weight of 297.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]urea is sourced from PubChem (CID 75518600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).