N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide

C12H15N3O2S — CID 153387397

IUPACN-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(C(=O)N2CCCCC2)cs1
InChIInChI=1S/C12H15N3O2S/c1-2-10(16)14-12-13-9(8-18-12)11(17)15-6-4-3-5-7-15/h2,8H,1,3-7H2,(H,13,14,16)
InChIKeyFHFSBVFPDYYEAQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.89
Rot. Bonds3

About N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide

N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 153387397) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID153387397
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1nc(C(=O)N2CCCCC2)cs1
InChIInChI=1S/C12H15N3O2S/c1-2-10(16)14-12-13-9(8-18-12)11(17)15-6-4-3-5-7-15/h2,8H,1,3-7H2,(H,13,14,16)
InChIKeyFHFSBVFPDYYEAQ-UHFFFAOYSA-N
XLogP1.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.89
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

azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
methyl 2-(prop-2-enoylamino)-1,3-thiazole-4-carboxylate
CID 153387484
N-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 46113813
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea
CID 16948749
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 16948435
3,5-dimethoxy-N-[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915191
azepan-1-yl-[2-(3,4-dimethylanilino)-1,3-thiazol-4-yl]methanone
CID 35263044
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 52897735
N-[4-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 115874539
[2-(methylamino)-1,3-thiazol-4-yl]-(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 77097002
methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 47340287

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 153387397) is N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide is C=CC(=O)Nc1nc(C(=O)N2CCCCC2)cs1.
What is the InChIKey of N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is FHFSBVFPDYYEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-10(16)14-12-13-9(8-18-12)11(17)15-6-4-3-5-7-15/h2,8H,1,3-7H2,(H,13,14,16).
What are the key properties of N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide?
N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 265.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 153387397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).