1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea

C15H20N6O2S — CID 121137743

IUPAC1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea
SMILESCOc1nc(CNC(=O)Nc2cccs2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H20N6O2S/c1-23-15-18-11(10-16-14(22)19-12-6-5-9-24-12)17-13(20-15)21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H2,16,19,22)
InChIKeyPMTYOZQHGYCTRC-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.25
Rot. Bonds5

About 1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea

1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea (PubChem CID 121137743) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea
PubChem CID121137743
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea
SMILESCOc1nc(CNC(=O)Nc2cccs2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H20N6O2S/c1-23-15-18-11(10-16-14(22)19-12-6-5-9-24-12)17-13(20-15)21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H2,16,19,22)
InChIKeyPMTYOZQHGYCTRC-UHFFFAOYSA-N
XLogP2.25
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-(2-methylphenyl)urea
CID 122253456
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 171137010
1-(3-chlorophenyl)-3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]urea
CID 122253439
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253100
5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253584
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-2-carboxamide
CID 122253418
2-(1,2-benzoxazol-3-yl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253589
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide
CID 122253435
4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253401
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-4-methylthiophene-2-carboxamide
CID 121137717
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-3-carboxamide
CID 122253553
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-phenylpropanamide
CID 119099625

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea (CID 121137743) is 1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea is COc1nc(CNC(=O)Nc2cccs2)nc(N2CCCCC2)n1.
What is the InChIKey of 1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea?
The InChIKey is PMTYOZQHGYCTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-23-15-18-11(10-16-14(22)19-12-6-5-9-24-12)17-13(20-15)21-7-3-2-4-8-21/h5-6,9H,2-4,7-8,10H2,1H3,(H2,16,19,22).
What are the key properties of 1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea?
1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea has a molecular weight of 348.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 121137743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).