1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea

C14H23N3O2S — CID 71976469

IUPAC1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
SMILESCCc1csc(NC(=O)NCC2CCOC2C(C)C)n1
InChIInChI=1S/C14H23N3O2S/c1-4-11-8-20-14(16-11)17-13(18)15-7-10-5-6-19-12(10)9(2)3/h8-10,12H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyXBMCRFVJUKSPJA-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.89
Rot. Bonds5

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

1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea (PubChem CID 71976469) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
PubChem CID71976469
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
SMILESCCc1csc(NC(=O)NCC2CCOC2C(C)C)n1
InChIInChI=1S/C14H23N3O2S/c1-4-11-8-20-14(16-11)17-13(18)15-7-10-5-6-19-12(10)9(2)3/h8-10,12H,4-7H2,1-3H3,(H2,15,16,17,18)
InChIKeyXBMCRFVJUKSPJA-UHFFFAOYSA-N
XLogP2.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea with MolForge

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Related Compounds

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079360
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079359
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128999330
1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129002052
2-(2-aminoethyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 120638628
1-(1-cyclopropylpropan-2-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129006442
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97009416
methyl 2-[2-[(2-tert-butylcyclohexyl)methylcarbamoylamino]-1,3-thiazol-4-yl]acetate
CID 146122556
1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079352
1-[(3-methyloxetan-3-yl)methyl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128999461
2-(aminomethyl)-N-[(2-propan-2-yloxan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119819583

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The IUPAC name of 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea (CID 71976469) is 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The canonical SMILES for 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea is CCc1csc(NC(=O)NCC2CCOC2C(C)C)n1.
What is the InChIKey of 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The InChIKey is XBMCRFVJUKSPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-11-8-20-14(16-11)17-13(18)15-7-10-5-6-19-12(10)9(2)3/h8-10,12H,4-7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea has a molecular weight of 297.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,3-thiazol-2-yl)-3-[(2-propan-2-yloxolan-3-yl)methyl]urea is sourced from PubChem (CID 71976469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).