6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide

C26H26N4O2S2 — CID 66997905

IUPAC6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2c(C)cn3ccsc23)c1
InChIInChI=1S/C26H26N4O2S2/c1-14-5-4-6-17(9-14)23-22(28-16(3)34-23)25(32)30-13-18-10-19(18)20(30)11-27-24(31)21-15(2)12-29-7-8-33-26(21)29/h4-9,12,18-20H,10-11,13H2,1-3H3,(H,27,31)/t18-,19-,20+/m0/s1
InChIKeyRWFIHUUVEQAILX-SLFFLAALSA-N
MW490.65 g/mol
LogP4.94
Rot. Bonds5

About 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide

6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide (PubChem CID 66997905) has the molecular formula C26H26N4O2S2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide
PubChem CID66997905
Molecular FormulaC26H26N4O2S2
Molecular Weight490.65 g/mol
Exact Mass490.15
IUPAC Name6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2c(C)cn3ccsc23)c1
InChIInChI=1S/C26H26N4O2S2/c1-14-5-4-6-17(9-14)23-22(28-16(3)34-23)25(32)30-13-18-10-19(18)20(30)11-27-24(31)21-15(2)12-29-7-8-33-26(21)29/h4-9,12,18-20H,10-11,13H2,1-3H3,(H,27,31)/t18-,19-,20+/m0/s1
InChIKeyRWFIHUUVEQAILX-SLFFLAALSA-N
XLogP4.94
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide (CID 66997905) is 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide is Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2c(C)cn3ccsc23)c1.
What is the InChIKey of 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is RWFIHUUVEQAILX-SLFFLAALSA-N. The full InChI is InChI=1S/C26H26N4O2S2/c1-14-5-4-6-17(9-14)23-22(28-16(3)34-23)25(32)30-13-18-10-19(18)20(30)11-27-24(31)21-15(2)12-29-7-8-33-26(21)29/h4-9,12,18-20H,10-11,13H2,1-3H3,(H,27,31)/t18-,19-,20+/m0/s1.
What are the key properties of 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide?
6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 66997905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).