1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C19H26N4OS — CID 86856600

IUPAC1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)NCC2CCCCN2Cc2ccccc2)s1
InChIInChI=1S/C19H26N4OS/c1-15-20-12-18(25-15)13-22-19(24)21-11-17-9-5-6-10-23(17)14-16-7-3-2-4-8-16/h2-4,7-8,12,17H,5-6,9-11,13-14H2,1H3,(H2,21,22,24)
InChIKeyKTCOHQSBFJPSFD-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.31
Rot. Bonds6

About 1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 86856600) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID86856600
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)NCC2CCCCN2Cc2ccccc2)s1
InChIInChI=1S/C19H26N4OS/c1-15-20-12-18(25-15)13-22-19(24)21-11-17-9-5-6-10-23(17)14-16-7-3-2-4-8-16/h2-4,7-8,12,17H,5-6,9-11,13-14H2,1H3,(H2,21,22,24)
InChIKeyKTCOHQSBFJPSFD-UHFFFAOYSA-N
XLogP3.31
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea with MolForge

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Related Compounds

1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505393
1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea
CID 120902751
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
1-[[(2R)-1-benzylpiperidin-2-yl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 95248817
1-[(1-benzylpiperidin-2-yl)methyl]-3-ethyl-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111524676
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
5-[(1-benzylpiperidin-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122047934
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 86841913
5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120645194
1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842153
1-[(1-benzylpyrrolidin-2-yl)methyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111481676
3-[(1-benzylpiperidin-2-yl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381990

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 86856600) is 1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CNC(=O)NCC2CCCCN2Cc2ccccc2)s1.
What is the InChIKey of 1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is KTCOHQSBFJPSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-15-20-12-18(25-15)13-22-19(24)21-11-17-9-5-6-10-23(17)14-16-7-3-2-4-8-16/h2-4,7-8,12,17H,5-6,9-11,13-14H2,1H3,(H2,21,22,24).
What are the key properties of 1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 358.51 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 86856600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).