N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide

C25H35N5O2S — CID 55565869

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)C(C)N3CCN(CC(=O)N4CCCCC4C)CC3)n2)cc1
InChIInChI=1S/C25H35N5O2S/c1-18-7-9-21(10-8-18)22-17-33-25(26-22)27-24(32)20(3)29-14-12-28(13-15-29)16-23(31)30-11-5-4-6-19(30)2/h7-10,17,19-20H,4-6,11-16H2,1-3H3,(H,26,27,32)
InChIKeyZUPNZONZNQUYIR-UHFFFAOYSA-N
MW469.66 g/mol
LogP3.46
Rot. Bonds6

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 55565869) has the molecular formula C25H35N5O2S and a molecular weight of 469.66 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID55565869
Molecular FormulaC25H35N5O2S
Molecular Weight469.66 g/mol
Exact Mass469.25
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)C(C)N3CCN(CC(=O)N4CCCCC4C)CC3)n2)cc1
InChIInChI=1S/C25H35N5O2S/c1-18-7-9-21(10-8-18)22-17-33-25(26-22)27-24(32)20(3)29-14-12-28(13-15-29)16-23(31)30-11-5-4-6-19(30)2/h7-10,17,19-20H,4-6,11-16H2,1-3H3,(H,26,27,32)
InChIKeyZUPNZONZNQUYIR-UHFFFAOYSA-N
XLogP3.46
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.66
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78825134
2-(2,6-dimethylpiperidin-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22197873
N-(ethylcarbamoyl)-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 43055564
(2R)-N-(ethylcarbamoyl)-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]propanamide
CID 36900917
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide
CID 40856252
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3685808
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4644165
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4190693
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 78841880
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133372121
1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(1R)-1-pyridin-4-ylethyl]piperazin-1-yl]ethanone
CID 95204864
(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7024090

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide (CID 55565869) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide is Cc1ccc(-c2csc(NC(=O)C(C)N3CCN(CC(=O)N4CCCCC4C)CC3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is ZUPNZONZNQUYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2S/c1-18-7-9-21(10-8-18)22-17-33-25(26-22)27-24(32)20(3)29-14-12-28(13-15-29)16-23(31)30-11-5-4-6-19(30)2/h7-10,17,19-20H,4-6,11-16H2,1-3H3,(H,26,27,32).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 469.66 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55565869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).