1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea

C19H26N4O2S — CID 118774586

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea
SMILESCc1nc(CNC(=O)Nc2ccccc2OC2CCN(C)CC2)sc1C
InChIInChI=1S/C19H26N4O2S/c1-13-14(2)26-18(21-13)12-20-19(24)22-16-6-4-5-7-17(16)25-15-8-10-23(3)11-9-15/h4-7,15H,8-12H2,1-3H3,(H2,20,22,24)
InChIKeyNOUHAHSHYVWMLW-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.55
Rot. Bonds5

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea (PubChem CID 118774586) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea
PubChem CID118774586
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea
SMILESCc1nc(CNC(=O)Nc2ccccc2OC2CCN(C)CC2)sc1C
InChIInChI=1S/C19H26N4O2S/c1-13-14(2)26-18(21-13)12-20-19(24)22-16-6-4-5-7-17(16)25-15-8-10-23(3)11-9-15/h4-7,15H,8-12H2,1-3H3,(H2,20,22,24)
InChIKeyNOUHAHSHYVWMLW-UHFFFAOYSA-N
XLogP3.55
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea (CID 118774586) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea is Cc1nc(CNC(=O)Nc2ccccc2OC2CCN(C)CC2)sc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea?
The InChIKey is NOUHAHSHYVWMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13-14(2)26-18(21-13)12-20-19(24)22-16-6-4-5-7-17(16)25-15-8-10-23(3)11-9-15/h4-7,15H,8-12H2,1-3H3,(H2,20,22,24).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea has a molecular weight of 374.51 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 118774586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).