N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide

C20H23N3O2S — CID 60563304

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)CC1
InChIInChI=1S/C20H23N3O2S/c1-4-11-23-12-9-16(10-13-23)19(24)22-20-21-18(14(2)26-20)15-5-7-17(25-3)8-6-15/h1,5-8,16H,9-13H2,2-3H3,(H,21,22,24)
InChIKeyCZHGLTKUALSRET-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.41
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 60563304) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide
PubChem CID60563304
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)CC1
InChIInChI=1S/C20H23N3O2S/c1-4-11-23-12-9-16(10-13-23)19(24)22-20-21-18(14(2)26-20)15-5-7-17(25-3)8-6-15/h1,5-8,16H,9-13H2,2-3H3,(H,21,22,24)
InChIKeyCZHGLTKUALSRET-UHFFFAOYSA-N
XLogP3.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropanecarbonylamino)-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970422
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 2677955
(1R)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 8780972
2,2,2-trifluoroethyl 4-[[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 16581765
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16829217
1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 4151155
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78861484
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4122784
(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 41397937
(2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 40620885
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide (CID 60563304) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide is C#CCN1CCC(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)CC1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is CZHGLTKUALSRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-4-11-23-12-9-16(10-13-23)19(24)22-20-21-18(14(2)26-20)15-5-7-17(25-3)8-6-15/h1,5-8,16H,9-13H2,2-3H3,(H,21,22,24).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 60563304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).