6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C24H25N5O2S2 — CID 24808511

IUPAC6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@@H](NC(=O)c3c(C)nc4sccn34)C2)c1
InChIInChI=1S/C24H25N5O2S2/c1-14-6-4-7-17(12-14)21-19(26-16(3)33-21)23(31)28-9-5-8-18(13-28)27-22(30)20-15(2)25-24-29(20)10-11-32-24/h4,6-7,10-12,18H,5,8-9,13H2,1-3H3,(H,27,30)/t18-/m1/s1
InChIKeyIHOWAUFNMUXKFO-GOSISDBHSA-N
MW479.63 g/mol
LogP4.48
Rot. Bonds4

About 6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 24808511) has the molecular formula C24H25N5O2S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is 6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID24808511
Molecular FormulaC24H25N5O2S2
Molecular Weight479.63 g/mol
Exact Mass479.14
IUPAC Name6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@@H](NC(=O)c3c(C)nc4sccn34)C2)c1
InChIInChI=1S/C24H25N5O2S2/c1-14-6-4-7-17(12-14)21-19(26-16(3)33-21)23(31)28-9-5-8-18(13-28)27-22(30)20-15(2)25-24-29(20)10-11-32-24/h4,6-7,10-12,18H,5,8-9,13H2,1-3H3,(H,27,30)/t18-/m1/s1
InChIKeyIHOWAUFNMUXKFO-GOSISDBHSA-N
XLogP4.48
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 24808511) is 6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@@H](NC(=O)c3c(C)nc4sccn34)C2)c1.
What is the InChIKey of 6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is IHOWAUFNMUXKFO-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N5O2S2/c1-14-6-4-7-17(12-14)21-19(26-16(3)33-21)23(31)28-9-5-8-18(13-28)27-22(30)20-15(2)25-24-29(20)10-11-32-24/h4,6-7,10-12,18H,5,8-9,13H2,1-3H3,(H,27,30)/t18-/m1/s1.
What are the key properties of 6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3R)-1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 24808511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).