N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide

C19H21N3O2S — CID 166405559

IUPACN-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CC1
InChIInChI=1S/C19H21N3O2S/c1-3-17(23)22-10-8-14(9-11-22)18(24)21-16-6-4-15(5-7-16)19-20-13(2)12-25-19/h3-7,12,14H,1,8-11H2,2H3,(H,21,24)
InChIKeyHOKWASJOTZBHQA-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.48
Rot. Bonds4

About N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide

N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 166405559) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID166405559
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CC1
InChIInChI=1S/C19H21N3O2S/c1-3-17(23)22-10-8-14(9-11-22)18(24)21-16-6-4-15(5-7-16)19-20-13(2)12-25-19/h3-7,12,14H,1,8-11H2,2H3,(H,21,24)
InChIKeyHOKWASJOTZBHQA-UHFFFAOYSA-N
XLogP3.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-cyclopropyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95306606
1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952032
(3S)-1-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 124695823
4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361667
trans-(1R,3R)-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(prop-2-enoylamino)cyclopentane-1-carboxamide
CID 172890029
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405576
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119759345
1-(2,4-diphenyl-1,3-thiazole-5-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951643
N-methyl-5-[(1-prop-2-enoylpiperidine-4-carbonyl)amino]-1H-indole-2-carboxamide
CID 166405184
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119759367
N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 146733338
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide (CID 166405559) is N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CC1.
What is the InChIKey of N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is HOKWASJOTZBHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-3-17(23)22-10-8-14(9-11-22)18(24)21-16-6-4-15(5-7-16)19-20-13(2)12-25-19/h3-7,12,14H,1,8-11H2,2H3,(H,21,24).
What are the key properties of N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide?
N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 166405559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).