1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea

C19H26N4O2S — CID 97270903

IUPAC1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESC[C@H](c1nccs1)N(C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-14(18-20-10-13-26-18)23(3)19(24)21-15-4-6-16(7-5-15)25-17-8-11-22(2)12-9-17/h4-7,10,13-14,17H,8-9,11-12H2,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeyPPQGIWJLRDICOB-CQSZACIVSA-N
MW374.51 g/mol
LogP3.84
Rot. Bonds5

About 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea

1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 97270903) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID97270903
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESC[C@H](c1nccs1)N(C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-14(18-20-10-13-26-18)23(3)19(24)21-15-4-6-16(7-5-15)25-17-8-11-22(2)12-9-17/h4-7,10,13-14,17H,8-9,11-12H2,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeyPPQGIWJLRDICOB-CQSZACIVSA-N
XLogP3.84
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[3-(methanesulfonamido)-4-methoxyphenyl]-1-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 97433648
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CID 97112090
(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea (CID 97270903) is 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea is C[C@H](c1nccs1)N(C)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is PPQGIWJLRDICOB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14(18-20-10-13-26-18)23(3)19(24)21-15-4-6-16(7-5-15)25-17-8-11-22(2)12-9-17/h4-7,10,13-14,17H,8-9,11-12H2,1-3H3,(H,21,24)/t14-/m1/s1.
What are the key properties of 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 374.51 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 97270903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).