2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

C25H27N7OS2 — CID 59600529

IUPAC2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2ncc(-c3ccc(Sc4ccccc4)cc3)s2)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C25H27N7OS2/c1-18-27-23(29-24(28-18)32-13-11-31(12-14-32)15-16-33)30-25-26-17-22(35-25)19-7-9-21(10-8-19)34-20-5-3-2-4-6-20/h2-10,17,33H,11-16H2,1H3,(H,26,27,28,29,30)
InChIKeyMEAAPSGQFSMQPN-UHFFFAOYSA-N
MW505.67 g/mol
LogP4.31
Rot. Bonds8

About 2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol

2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 59600529) has the molecular formula C25H27N7OS2 and a molecular weight of 505.67 g/mol. Its IUPAC name is 2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
PubChem CID59600529
Molecular FormulaC25H27N7OS2
Molecular Weight505.67 g/mol
Exact Mass505.17
IUPAC Name2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
SMILESCc1nc(Nc2ncc(-c3ccc(Sc4ccccc4)cc3)s2)nc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C25H27N7OS2/c1-18-27-23(29-24(28-18)32-13-11-31(12-14-32)15-16-33)30-25-26-17-22(35-25)19-7-9-21(10-8-19)34-20-5-3-2-4-6-20/h2-10,17,33H,11-16H2,1H3,(H,26,27,28,29,30)
InChIKeyMEAAPSGQFSMQPN-UHFFFAOYSA-N
XLogP4.31
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.67
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[4-[4-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600478
2-[4-[4-methyl-6-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600406
2-[4-[4-(3-aminophenyl)sulfanyl-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 88588882
2-[4-[4-[4-(1,3-benzothiazol-2-ylsulfanyl)anilino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
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2-[4-[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperidin-1-yl]ethanol
CID 71479430
2-[4-[4-[[5-[hydroxy-(2,4,6-trimethylanilino)methyl]-1,3-thiazol-2-yl]amino]-6-methyl-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol
CID 59600532
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
[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-thiophen-2-yl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]methanol
CID 88859233
N-(2-chloro-6-methylphenyl)-2-[[4-(4-chlorophenyl)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 25030174
5-[(2,6-dimethylanilino)methyl]-N-[4-methyl-6-(4-propylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
CID 90819215
2-[[4,6-bis[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 59600397

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol (CID 59600529) is 2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is Cc1nc(Nc2ncc(-c3ccc(Sc4ccccc4)cc3)s2)nc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is MEAAPSGQFSMQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7OS2/c1-18-27-23(29-24(28-18)32-13-11-31(12-14-32)15-16-33)30-25-26-17-22(35-25)19-7-9-21(10-8-19)34-20-5-3-2-4-6-20/h2-10,17,33H,11-16H2,1H3,(H,26,27,28,29,30).
What are the key properties of 2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 505.67 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-6-[[5-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 59600529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).