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

C14H21N5OS — CID 160849117

IUPACmethane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide
SMILESC.CC(=O)Nc1nc(C)nc(NC(C)c2sccc2C)n1
InChIInChI=1S/C13H17N5OS.CH4/c1-7-5-6-20-11(7)8(2)14-12-15-9(3)16-13(18-12)17-10(4)19;/h5-6,8H,1-4H3,(H2,14,15,16,17,18,19);1H4
InChIKeySJAJMRNRRUVYRN-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.32
Rot. Bonds4

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

methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide (PubChem CID 160849117) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound Namemethane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide
PubChem CID160849117
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Namemethane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide
SMILESC.CC(=O)Nc1nc(C)nc(NC(C)c2sccc2C)n1
InChIInChI=1S/C13H17N5OS.CH4/c1-7-5-6-20-11(7)8(2)14-12-15-9(3)16-13(18-12)17-10(4)19;/h5-6,8H,1-4H3,(H2,14,15,16,17,18,19);1H4
InChIKeySJAJMRNRRUVYRN-UHFFFAOYSA-N
XLogP3.32
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide
CID 59874284
N-[4-[1-(3-chlorothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874327
N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874384
N-[4-methyl-6-[1-(3-methylthiophen-2-yl)propylamino]-1,3,5-triazin-2-yl]propanamide
CID 59874272
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-methoxy-3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992462
N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992830
4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012
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

Frequently Asked Questions

What is the IUPAC name of methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide (CID 160849117) is methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide is C.CC(=O)Nc1nc(C)nc(NC(C)c2sccc2C)n1.
What is the InChIKey of methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide?
The InChIKey is SJAJMRNRRUVYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS.CH4/c1-7-5-6-20-11(7)8(2)14-12-15-9(3)16-13(18-12)17-10(4)19;/h5-6,8H,1-4H3,(H2,14,15,16,17,18,19);1H4.
What are the key properties of methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide?
methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide has a molecular weight of 307.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 160849117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).