1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone

C20H21N5OS2 — CID 157111695

IUPAC1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
SMILESCCc1nc(Nc2nc(C)cs2)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1
InChIInChI=1S/C20H21N5OS2/c1-3-17-22-18(24-19-21-12(2)11-27-19)25-20(23-17)28-15-8-4-13(5-9-15)10-16(26)14-6-7-14/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,21,22,23,24,25)
InChIKeyMTLJAMWLEDXAHT-UHFFFAOYSA-N
MW411.56 g/mol
LogP4.62
Rot. Bonds8

About 1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone

1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (PubChem CID 157111695) has the molecular formula C20H21N5OS2 and a molecular weight of 411.56 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
PubChem CID157111695
Molecular FormulaC20H21N5OS2
Molecular Weight411.56 g/mol
Exact Mass411.12
IUPAC Name1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
SMILESCCc1nc(Nc2nc(C)cs2)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1
InChIInChI=1S/C20H21N5OS2/c1-3-17-22-18(24-19-21-12(2)11-27-19)25-20(23-17)28-15-8-4-13(5-9-15)10-16(26)14-6-7-14/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,21,22,23,24,25)
InChIKeyMTLJAMWLEDXAHT-UHFFFAOYSA-N
XLogP4.62
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide
CID 88588972
1-cyclopropyl-2-[4-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
CID 158504168
1-cyclopropyl-2-[4-[4-(diethylamino)-5-ethoxy-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone
CID 147066503
1-cyclopropyl-2-[4-[5-ethoxy-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone
CID 157475242
N-[4-[[4-ethyl-6-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide
CID 118227650
6-methylsulfanyl-2-N-(4-methyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
CID 13033517
4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide
CID 61044116
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30273255
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
CID 15079946
1-cyclopropyl-2-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;methane;molecular hydrogen
CID 159108479
1-cyclopropyl-2-[4-[4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone
CID 159969021

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (CID 157111695) is 1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is CCc1nc(Nc2nc(C)cs2)nc(Sc2ccc(CC(=O)C3CC3)cc2)n1.
What is the InChIKey of 1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?
The InChIKey is MTLJAMWLEDXAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS2/c1-3-17-22-18(24-19-21-12(2)11-27-19)25-20(23-17)28-15-8-4-13(5-9-15)10-16(26)14-6-7-14/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,21,22,23,24,25).
What are the key properties of 1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?
1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone has a molecular weight of 411.56 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-[[4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is sourced from PubChem (CID 157111695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).