N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide

C12H14ClN5OS — CID 59874327

IUPACN-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC(C)c2sccc2Cl)n1
InChIInChI=1S/C12H14ClN5OS/c1-6(10-9(13)4-5-20-10)14-11-15-7(2)16-12(18-11)17-8(3)19/h4-6H,1-3H3,(H2,14,15,16,17,18,19)
InChIKeySGRBWZMCKYMPPW-UHFFFAOYSA-N
MW311.80 g/mol
LogP3.03
Rot. Bonds4

About N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide

N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (PubChem CID 59874327) has the molecular formula C12H14ClN5OS and a molecular weight of 311.80 g/mol. Its IUPAC name is N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
PubChem CID59874327
Molecular FormulaC12H14ClN5OS
Molecular Weight311.80 g/mol
Exact Mass311.06
IUPAC NameN-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC(C)c2sccc2Cl)n1
InChIInChI=1S/C12H14ClN5OS/c1-6(10-9(13)4-5-20-10)14-11-15-7(2)16-12(18-11)17-8(3)19/h4-6H,1-3H3,(H2,14,15,16,17,18,19)
InChIKeySGRBWZMCKYMPPW-UHFFFAOYSA-N
XLogP3.03
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide 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

methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 160849117
N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide
CID 59874284
N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874384
N-[4-[1-(3-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874303
N-[4-[1-(furan-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874367
N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 22965457
N-[4-[1-(4,5-dichloro-2-nitrothiophen-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874269
N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide
CID 59874272
N-[4-methyl-6-[4-(5-methylthiophen-2-yl)butan-2-ylamino]-1,3,5-triazin-2-yl]acetamide
CID 22091002
N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide
CID 21856
N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874359
N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090983

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (CID 59874327) is N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is CC(=O)Nc1nc(C)nc(NC(C)c2sccc2Cl)n1.
What is the InChIKey of N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The InChIKey is SGRBWZMCKYMPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5OS/c1-6(10-9(13)4-5-20-10)14-11-15-7(2)16-12(18-11)17-8(3)19/h4-6H,1-3H3,(H2,14,15,16,17,18,19).
What are the key properties of N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide has a molecular weight of 311.80 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 59874327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).