1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea

C17H22N4O3S — CID 118790558

IUPAC1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea
SMILESCCc1nnc(CNC(=O)Nc2ccc(OCC3CCCO3)cc2)s1
InChIInChI=1S/C17H22N4O3S/c1-2-15-20-21-16(25-15)10-18-17(22)19-12-5-7-13(8-6-12)24-11-14-4-3-9-23-14/h5-8,14H,2-4,9-11H2,1H3,(H2,18,19,22)
InChIKeyUXKBXDFEAIODGL-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.98
Rot. Bonds7

About 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea

1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea (PubChem CID 118790558) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea
PubChem CID118790558
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea
SMILESCCc1nnc(CNC(=O)Nc2ccc(OCC3CCCO3)cc2)s1
InChIInChI=1S/C17H22N4O3S/c1-2-15-20-21-16(25-15)10-18-17(22)19-12-5-7-13(8-6-12)24-11-14-4-3-9-23-14/h5-8,14H,2-4,9-11H2,1H3,(H2,18,19,22)
InChIKeyUXKBXDFEAIODGL-UHFFFAOYSA-N
XLogP2.98
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97444546
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
CID 97438213
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2R)-oxan-2-yl]methoxy]phenyl]urea
CID 97438214
3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 118768775
1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94025132
1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97435833
1-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 97446058
1-ethyl-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]cyclobutane-1-carboxamide
CID 95974545
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 92824814
1-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97454274
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea?
The IUPAC name of 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea (CID 118790558) is 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea.
What is the SMILES notation for 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea?
The canonical SMILES for 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea is CCc1nnc(CNC(=O)Nc2ccc(OCC3CCCO3)cc2)s1.
What is the InChIKey of 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea?
The InChIKey is UXKBXDFEAIODGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-2-15-20-21-16(25-15)10-18-17(22)19-12-5-7-13(8-6-12)24-11-14-4-3-9-23-14/h5-8,14H,2-4,9-11H2,1H3,(H2,18,19,22).
What are the key properties of 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea?
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea has a molecular weight of 362.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea is sourced from PubChem (CID 118790558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).