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

C16H28N4O2S — CID 111509367

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCc1nc(CNC(=O)NCC(O)CN2CCC(C)CC2)sc1C
InChIInChI=1S/C16H28N4O2S/c1-11-4-6-20(7-5-11)10-14(21)8-17-16(22)18-9-15-19-12(2)13(3)23-15/h11,14,21H,4-10H2,1-3H3,(H2,17,18,22)
InChIKeyHHXIUVHCDHKNCU-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.65
Rot. Bonds6

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

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 111509367) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID111509367
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCc1nc(CNC(=O)NCC(O)CN2CCC(C)CC2)sc1C
InChIInChI=1S/C16H28N4O2S/c1-11-4-6-20(7-5-11)10-14(21)8-17-16(22)18-9-15-19-12(2)13(3)23-15/h11,14,21H,4-10H2,1-3H3,(H2,17,18,22)
InChIKeyHHXIUVHCDHKNCU-UHFFFAOYSA-N
XLogP1.65
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea with MolForge

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Related Compounds

1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 56785065
1-butyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 56785064
1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 95617929
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
1-cycloheptyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111362
1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94029380
1-[[3-(dimethylamino)phenyl]methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111413
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111111417
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methylpyridine-2-carboxamide
CID 111112729
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-(5-methylthiophen-2-yl)acetamide
CID 111422497
3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 111112860
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea
CID 111111407

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea (CID 111509367) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea is Cc1nc(CNC(=O)NCC(O)CN2CCC(C)CC2)sc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is HHXIUVHCDHKNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-11-4-6-20(7-5-11)10-14(21)8-17-16(22)18-9-15-19-12(2)13(3)23-15/h11,14,21H,4-10H2,1-3H3,(H2,17,18,22).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 340.49 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 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-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 111509367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).