N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide

C15H20ClN5OS — CID 22090983

IUPACN-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(C)CCc2cc(Cl)cs2)n1
InChIInChI=1S/C15H20ClN5OS/c1-4-13(22)20-15-19-10(3)18-14(21-15)17-9(2)5-6-12-7-11(16)8-23-12/h7-9H,4-6H2,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyBNVLPAICXPXEGF-UHFFFAOYSA-N
MW353.88 g/mol
LogP3.68
Rot. Bonds7

About N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide

N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide (PubChem CID 22090983) has the molecular formula C15H20ClN5OS and a molecular weight of 353.88 g/mol. Its IUPAC name is N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
PubChem CID22090983
Molecular FormulaC15H20ClN5OS
Molecular Weight353.88 g/mol
Exact Mass353.11
IUPAC NameN-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(C)CCc2cc(Cl)cs2)n1
InChIInChI=1S/C15H20ClN5OS/c1-4-13(22)20-15-19-10(3)18-14(21-15)17-9(2)5-6-12-7-11(16)8-23-12/h7-9H,4-6H2,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyBNVLPAICXPXEGF-UHFFFAOYSA-N
XLogP3.68
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide (CID 22090983) is N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(C)nc(NC(C)CCc2cc(Cl)cs2)n1.
What is the InChIKey of N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The InChIKey is BNVLPAICXPXEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5OS/c1-4-13(22)20-15-19-10(3)18-14(21-15)17-9(2)5-6-12-7-11(16)8-23-12/h7-9H,4-6H2,1-3H3,(H2,17,18,19,20,21,22).
What are the key properties of N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide has a molecular weight of 353.88 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 22090983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).