N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

C17H22N2O2S — CID 46068230

IUPACN-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccccc1-c1nc(C(=O)N(C)C(C)C)cs1
InChIInChI=1S/C17H22N2O2S/c1-11(2)19(5)17(20)14-10-22-16(18-14)13-8-6-7-9-15(13)21-12(3)4/h6-12H,1-5H3
InChIKeyCZTFNYXPVMYVRL-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.08
Rot. Bonds5

About N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46068230) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46068230
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccccc1-c1nc(C(=O)N(C)C(C)C)cs1
InChIInChI=1S/C17H22N2O2S/c1-11(2)19(5)17(20)14-10-22-16(18-14)13-8-6-7-9-15(13)21-12(3)4/h6-12H,1-5H3
InChIKeyCZTFNYXPVMYVRL-UHFFFAOYSA-N
XLogP4.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 46068230) is N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is CC(C)Oc1ccccc1-c1nc(C(=O)N(C)C(C)C)cs1.
What is the InChIKey of N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CZTFNYXPVMYVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11(2)19(5)17(20)14-10-22-16(18-14)13-8-6-7-9-15(13)21-12(3)4/h6-12H,1-5H3.
What are the key properties of N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46068230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).