6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C25H25N5O2S2 — CID 24853522

IUPAC6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2[C@H](CNC(=O)c3c(C)nc4sccn34)C[C@@H]3C[C@@H]32)c1
InChIInChI=1S/C25H25N5O2S2/c1-13-5-4-6-16(9-13)22-20(28-15(3)34-22)24(32)30-18(10-17-11-19(17)30)12-26-23(31)21-14(2)27-25-29(21)7-8-33-25/h4-9,17-19H,10-12H2,1-3H3,(H,26,31)/t17-,18+,19+/m1/s1
InChIKeyBBILWLLJFSWYFO-QYZOEREBSA-N
MW491.64 g/mol
LogP4.48
Rot. Bonds5

About 6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 24853522) has the molecular formula C25H25N5O2S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID24853522
Molecular FormulaC25H25N5O2S2
Molecular Weight491.64 g/mol
Exact Mass491.14
IUPAC Name6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2[C@H](CNC(=O)c3c(C)nc4sccn34)C[C@@H]3C[C@@H]32)c1
InChIInChI=1S/C25H25N5O2S2/c1-13-5-4-6-16(9-13)22-20(28-15(3)34-22)24(32)30-18(10-17-11-19(17)30)12-26-23(31)21-14(2)27-25-29(21)7-8-33-25/h4-9,17-19H,10-12H2,1-3H3,(H,26,31)/t17-,18+,19+/m1/s1
InChIKeyBBILWLLJFSWYFO-QYZOEREBSA-N
XLogP4.48
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 24853522) is 6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cccc(-c2sc(C)nc2C(=O)N2[C@H](CNC(=O)c3c(C)nc4sccn34)C[C@@H]3C[C@@H]32)c1.
What is the InChIKey of 6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is BBILWLLJFSWYFO-QYZOEREBSA-N. The full InChI is InChI=1S/C25H25N5O2S2/c1-13-5-4-6-16(9-13)22-20(28-15(3)34-22)24(32)30-18(10-17-11-19(17)30)12-26-23(31)21-14(2)27-25-29(21)7-8-33-25/h4-9,17-19H,10-12H2,1-3H3,(H,26,31)/t17-,18+,19+/m1/s1.
What are the key properties of 6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(1S,3S,5S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 24853522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).