1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C17H24N4O2S — CID 86841803

IUPAC1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)NCc2ccc(OCCN(C)C)cc2)s1
InChIInChI=1S/C17H24N4O2S/c1-13-18-11-16(24-13)12-20-17(22)19-10-14-4-6-15(7-5-14)23-9-8-21(2)3/h4-7,11H,8-10,12H2,1-3H3,(H2,19,20,22)
InChIKeyLTYNBNBTBCBHTD-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.39
Rot. Bonds8

About 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 86841803) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID86841803
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)NCc2ccc(OCCN(C)C)cc2)s1
InChIInChI=1S/C17H24N4O2S/c1-13-18-11-16(24-13)12-20-17(22)19-10-14-4-6-15(7-5-14)23-9-8-21(2)3/h4-7,11H,8-10,12H2,1-3H3,(H2,19,20,22)
InChIKeyLTYNBNBTBCBHTD-UHFFFAOYSA-N
XLogP2.39
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea with MolForge

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-1,2-dimethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111308502
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845701
3-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60940843
1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841826
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
2-(4-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61281777
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120641621
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea
CID 86841626
3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride
CID 120502855
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841692

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 86841803) is 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CNC(=O)NCc2ccc(OCCN(C)C)cc2)s1.
What is the InChIKey of 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is LTYNBNBTBCBHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-18-11-16(24-13)12-20-17(22)19-10-14-4-6-15(7-5-14)23-9-8-21(2)3/h4-7,11H,8-10,12H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 348.47 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 86841803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).