N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide

C20H22N6OS2 — CID 88588972

IUPACN-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide
SMILESCCc1nc(Nc2nc(C)c(C)s2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
InChIInChI=1S/C20H22N6OS2/c1-4-16-23-18(25-19-21-11(2)12(3)28-19)26-20(24-16)29-15-9-7-14(8-10-15)22-17(27)13-5-6-13/h7-10,13H,4-6H2,1-3H3,(H,22,27)(H,21,23,24,25,26)
InChIKeyWRMUAIWFMODNCC-UHFFFAOYSA-N
MW426.57 g/mol
LogP4.75
Rot. Bonds7

About N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide

N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide (PubChem CID 88588972) has the molecular formula C20H22N6OS2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide
PubChem CID88588972
Molecular FormulaC20H22N6OS2
Molecular Weight426.57 g/mol
Exact Mass426.13
IUPAC NameN-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide
SMILESCCc1nc(Nc2nc(C)c(C)s2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
InChIInChI=1S/C20H22N6OS2/c1-4-16-23-18(25-19-21-11(2)12(3)28-19)26-20(24-16)29-15-9-7-14(8-10-15)22-17(27)13-5-6-13/h7-10,13H,4-6H2,1-3H3,(H,22,27)(H,21,23,24,25,26)
InChIKeyWRMUAIWFMODNCC-UHFFFAOYSA-N
XLogP4.75
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide with MolForge

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Related Compounds

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N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
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CID 88588989
N-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide
CID 88860936
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CID 134363249
N-[4-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-6-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 25073677
2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-phenylethanone
CID 158633777
N-[4-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-1-ium-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide
CID 90894549
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CID 16584135

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of 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) is N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide is CCc1nc(Nc2nc(C)c(C)s2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1.
What is the InChIKey of N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide?
The InChIKey is WRMUAIWFMODNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS2/c1-4-16-23-18(25-19-21-11(2)12(3)28-19)26-20(24-16)29-15-9-7-14(8-10-15)22-17(27)13-5-6-13/h7-10,13H,4-6H2,1-3H3,(H,22,27)(H,21,23,24,25,26).
What are the key properties of N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide?
N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide has a molecular weight of 426.57 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-ethyl-1,3,5-triazin-2-yl]sulfanyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 88588972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).