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

C16H18N2O2S — CID 46065721

IUPACN-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(C(=O)NC3CC3)cs2)cc1
InChIInChI=1S/C16H18N2O2S/c1-10(2)20-13-7-3-11(4-8-13)16-18-14(9-21-16)15(19)17-12-5-6-12/h3-4,7-10,12H,5-6H2,1-2H3,(H,17,19)
InChIKeyZWLNGDRLMIXLQY-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.49
Rot. Bonds5

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

N-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46065721) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46065721
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(C(=O)NC3CC3)cs2)cc1
InChIInChI=1S/C16H18N2O2S/c1-10(2)20-13-7-3-11(4-8-13)16-18-14(9-21-16)15(19)17-12-5-6-12/h3-4,7-10,12H,5-6H2,1-2H3,(H,17,19)
InChIKeyZWLNGDRLMIXLQY-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 46065721) is N-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is CC(C)Oc1ccc(-c2nc(C(=O)NC3CC3)cs2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZWLNGDRLMIXLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10(2)20-13-7-3-11(4-8-13)16-18-14(9-21-16)15(19)17-12-5-6-12/h3-4,7-10,12H,5-6H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46065721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).