1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea

C18H24N4O2S — CID 125436994

IUPAC1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCN1CCO[C@@H](CNC(=O)N(Cc2ccccc2)Cc2nccs2)C1
InChIInChI=1S/C18H24N4O2S/c1-21-8-9-24-16(13-21)11-20-18(23)22(14-17-19-7-10-25-17)12-15-5-3-2-4-6-15/h2-7,10,16H,8-9,11-14H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyIXOGAQHUGMEIMK-INIZCTEOSA-N
MW360.48 g/mol
LogP2.19
Rot. Bonds6

About 1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea

1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 125436994) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea
PubChem CID125436994
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCN1CCO[C@@H](CNC(=O)N(Cc2ccccc2)Cc2nccs2)C1
InChIInChI=1S/C18H24N4O2S/c1-21-8-9-24-16(13-21)11-20-18(23)22(14-17-19-7-10-25-17)12-15-5-3-2-4-6-15/h2-7,10,16H,8-9,11-14H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyIXOGAQHUGMEIMK-INIZCTEOSA-N
XLogP2.19
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 122558093
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 97072251
2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128996448
2-(3-fluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-(1,3-thiazol-2-yl)acetamide
CID 97217269
N-[(4-methylmorpholin-2-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110710235
N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210
1-benzyl-3-(1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 119059665
3-[ethyl-[(4-methylmorpholin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 79070954
1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide
CID 47086922
N-[(4-methylmorpholin-2-yl)methyl]-2-(4-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 75373711
N-[(4-methylmorpholin-2-yl)methyl]-3,3-diphenylpropanamide
CID 49094292

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea (CID 125436994) is 1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea is CN1CCO[C@@H](CNC(=O)N(Cc2ccccc2)Cc2nccs2)C1.
What is the InChIKey of 1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is IXOGAQHUGMEIMK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-21-8-9-24-16(13-21)11-20-18(23)22(14-17-19-7-10-25-17)12-15-5-3-2-4-6-15/h2-7,10,16H,8-9,11-14H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea?
1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 360.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 125436994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).