N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide

C22H24N2O2S2 — CID 46008117

IUPACN-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCC(C)c1ccccc1OCc1nc(CN(C(=O)c2cccs2)C2CC2)cs1
InChIInChI=1S/C22H24N2O2S2/c1-15(2)18-6-3-4-7-19(18)26-13-21-23-16(14-28-21)12-24(17-9-10-17)22(25)20-8-5-11-27-20/h3-8,11,14-15,17H,9-10,12-13H2,1-2H3
InChIKeyPTKGIAIZMOAZCG-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.71
Rot. Bonds8

About N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide

N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 46008117) has the molecular formula C22H24N2O2S2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID46008117
Molecular FormulaC22H24N2O2S2
Molecular Weight412.58 g/mol
Exact Mass412.13
IUPAC NameN-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCC(C)c1ccccc1OCc1nc(CN(C(=O)c2cccs2)C2CC2)cs1
InChIInChI=1S/C22H24N2O2S2/c1-15(2)18-6-3-4-7-19(18)26-13-21-23-16(14-28-21)12-24(17-9-10-17)22(25)20-8-5-11-27-20/h3-8,11,14-15,17H,9-10,12-13H2,1-2H3
InChIKeyPTKGIAIZMOAZCG-UHFFFAOYSA-N
XLogP5.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008122
N-cyclopropyl-4-fluoro-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008115
N-[(2R)-butan-2-yl]-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 93165084
N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008111
N-butan-2-yl-4-fluoro-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008095
N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009606
3-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 42837286
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008079
N-(3-methoxypropyl)-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide
CID 42837496
N-(2-methylpropyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 46008044
4-fluoro-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008063
3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009601

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide (CID 46008117) is N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide is CC(C)c1ccccc1OCc1nc(CN(C(=O)c2cccs2)C2CC2)cs1.
What is the InChIKey of N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is PTKGIAIZMOAZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S2/c1-15(2)18-6-3-4-7-19(18)26-13-21-23-16(14-28-21)12-24(17-9-10-17)22(25)20-8-5-11-27-20/h3-8,11,14-15,17H,9-10,12-13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide?
N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46008117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).