1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide

C23H27N5O2S2 — CID 44609750

IUPAC1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCSC2CNC(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C23H27N5O2S2/c1-13-7-6-8-17(11-13)21-20(25-16(4)32-21)23(30)28-9-10-31-18(28)12-24-22(29)19-14(2)26-27(5)15(19)3/h6-8,11,18H,9-10,12H2,1-5H3,(H,24,29)
InChIKeyFRMKBXMTEROMCB-UHFFFAOYSA-N
MW469.64 g/mol
LogP3.72
Rot. Bonds5

About 1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 44609750) has the molecular formula C23H27N5O2S2 and a molecular weight of 469.64 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID44609750
Molecular FormulaC23H27N5O2S2
Molecular Weight469.64 g/mol
Exact Mass469.16
IUPAC Name1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCSC2CNC(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C23H27N5O2S2/c1-13-7-6-8-17(11-13)21-20(25-16(4)32-21)23(30)28-9-10-31-18(28)12-24-22(29)19-14(2)26-27(5)15(19)3/h6-8,11,18H,9-10,12H2,1-5H3,(H,24,29)
InChIKeyFRMKBXMTEROMCB-UHFFFAOYSA-N
XLogP3.72
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.64
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide
CID 67262584
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1H-indazole-4-carboxamide
CID 67262727
2-methoxy-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyridine-3-carboxamide
CID 67262464
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67262580
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67262517
2,5-dimethyl-N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrazole-3-carboxamide
CID 90834436
N-[[3-[2-(dimethylamino)-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 44609120
2,4-dimethyl-N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 24815862
2-hydroxy-N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]benzamide
CID 24815676
2-methyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-1,3-benzothiazole-5-carboxamide
CID 45256532
[2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67262628
[2-(aminomethyl)-1,3-oxazolidin-3-yl]-[2-methyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 68607371

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide (CID 44609750) is 1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide is Cc1cccc(-c2sc(C)nc2C(=O)N2CCSC2CNC(=O)c2c(C)nn(C)c2C)c1.
What is the InChIKey of 1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is FRMKBXMTEROMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S2/c1-13-7-6-8-17(11-13)21-20(25-16(4)32-21)23(30)28-9-10-31-18(28)12-24-22(29)19-14(2)26-27(5)15(19)3/h6-8,11,18H,9-10,12H2,1-5H3,(H,24,29).
What are the key properties of 1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 469.64 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 44609750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).