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

C18H24N4OS — CID 110368636

IUPAC1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESO=C(NCc1ccccc1)NCc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C18H24N4OS/c23-18(19-11-15-7-3-1-4-8-15)20-12-17-21-16(14-24-17)13-22-9-5-2-6-10-22/h1,3-4,7-8,14H,2,5-6,9-13H2,(H2,19,20,23)
InChIKeyZANXRUDOBFICAS-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.13
Rot. Bonds6

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

1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea (PubChem CID 110368636) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea
PubChem CID110368636
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea
SMILESO=C(NCc1ccccc1)NCc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C18H24N4OS/c23-18(19-11-15-7-3-1-4-8-15)20-12-17-21-16(14-24-17)13-22-9-5-2-6-10-22/h1,3-4,7-8,14H,2,5-6,9-13H2,(H2,19,20,23)
InChIKeyZANXRUDOBFICAS-UHFFFAOYSA-N
XLogP3.13
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110368584
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 111544191
N-[(4-chlorophenyl)methyl]-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386851
N-(pyridin-4-ylmethyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386591
N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 119918242
N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110368671
3-(acetamidomethyl)-N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 166227366
1-piperidin-1-yl-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386560
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921
1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 134056885
1-(1-benzylpyrazol-3-yl)-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]urea
CID 78893548

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea?
The IUPAC name of 1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea (CID 110368636) is 1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea.
What is the SMILES notation for 1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea?
The canonical SMILES for 1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea is O=C(NCc1ccccc1)NCc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea?
The InChIKey is ZANXRUDOBFICAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c23-18(19-11-15-7-3-1-4-8-15)20-12-17-21-16(14-24-17)13-22-9-5-2-6-10-22/h1,3-4,7-8,14H,2,5-6,9-13H2,(H2,19,20,23).
What are the key properties of 1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea?
1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea has a molecular weight of 344.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea is sourced from PubChem (CID 110368636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).