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

C22H23N5OS — CID 56555641

IUPACN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCCC1C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1
InChIInChI=1S/C22H23N5OS/c1-3-13-27-14-8-7-11-17(27)21(28)25-22-24-18(16-9-5-4-6-10-16)19(29-22)20-23-12-15-26(20)2/h1,4-6,9-10,12,15,17H,7-8,11,13-14H2,2H3,(H,24,25,28)
InChIKeyIFCPEEVUIOFRJV-UHFFFAOYSA-N
MW405.53 g/mol
LogP3.64
Rot. Bonds5

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

N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide (PubChem CID 56555641) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide
PubChem CID56555641
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC NameN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCCC1C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1
InChIInChI=1S/C22H23N5OS/c1-3-13-27-14-8-7-11-17(27)21(28)25-22-24-18(16-9-5-4-6-10-16)19(29-22)20-23-12-15-26(20)2/h1,4-6,9-10,12,15,17H,7-8,11,13-14H2,2H3,(H,24,25,28)
InChIKeyIFCPEEVUIOFRJV-UHFFFAOYSA-N
XLogP3.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 97184901
1-(2-ethylphenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55517163
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 55516485
2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
CID 55585724
6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55516567
2,4,5-trimethyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 75466522
1-(4-bromophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 55520947
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 55514296
N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55545312
2-(4-methoxyphenyl)sulfanyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 55517376
2-(2-methoxyethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 56555673
2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 55514567

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide?
The IUPAC name of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide (CID 56555641) is N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide.
What is the SMILES notation for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide?
The canonical SMILES for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide is C#CCN1CCCCC1C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1.
What is the InChIKey of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide?
The InChIKey is IFCPEEVUIOFRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-3-13-27-14-8-7-11-17(27)21(28)25-22-24-18(16-9-5-4-6-10-16)19(29-22)20-23-12-15-26(20)2/h1,4-6,9-10,12,15,17H,7-8,11,13-14H2,2H3,(H,24,25,28).
What are the key properties of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide?
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide has a molecular weight of 405.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide is sourced from PubChem (CID 56555641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).