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

C16H23N5OS — CID 22090942

IUPACN-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC(C)CCc2cc(C)sc2C)n1
InChIInChI=1S/C16H23N5OS/c1-9(6-7-14-8-10(2)23-11(14)3)17-15-18-12(4)19-16(21-15)20-13(5)22/h8-9H,6-7H2,1-5H3,(H2,17,18,19,20,21,22)
InChIKeyDTWMPZWARLKMRZ-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.25
Rot. Bonds6

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

N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (PubChem CID 22090942) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
PubChem CID22090942
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC(C)CCc2cc(C)sc2C)n1
InChIInChI=1S/C16H23N5OS/c1-9(6-7-14-8-10(2)23-11(14)3)17-15-18-12(4)19-16(21-15)20-13(5)22/h8-9H,6-7H2,1-5H3,(H2,17,18,19,20,21,22)
InChIKeyDTWMPZWARLKMRZ-UHFFFAOYSA-N
XLogP3.25
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[4-methyl-6-[4-(5-methylthiophen-2-yl)butan-2-ylamino]-1,3,5-triazin-2-yl]acetamide
CID 22091002
N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090956
N-[4-[4-(3,5-dimethylthiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]formamide
CID 22090955
N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090983
2-N-[4-(2,5-dichlorothiophen-3-yl)butan-2-yl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 22090881
N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
CID 20675899
N-[4-[1-(5-bromothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 22090984
N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 21349408
methane;N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 160849117
N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide
CID 21856
N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874340
N-[4-[1-(3-fluorothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874384

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (CID 22090942) is N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is CC(=O)Nc1nc(C)nc(NC(C)CCc2cc(C)sc2C)n1.
What is the InChIKey of N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The InChIKey is DTWMPZWARLKMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-9(6-7-14-8-10(2)23-11(14)3)17-15-18-12(4)19-16(21-15)20-13(5)22/h8-9H,6-7H2,1-5H3,(H2,17,18,19,20,21,22).
What are the key properties of N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,5-dimethylthiophen-3-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 22090942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).