N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide

C22H31N5O2S — CID 78825134

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)C(C)N3CCN(CC(=O)NC(C)C)CC3)n2)cc1
InChIInChI=1S/C22H31N5O2S/c1-15(2)23-20(28)13-26-9-11-27(12-10-26)17(4)21(29)25-22-24-19(14-30-22)18-7-5-16(3)6-8-18/h5-8,14-15,17H,9-13H2,1-4H3,(H,23,28)(H,24,25,29)
InChIKeyDQKIRBNXJVLNFF-UHFFFAOYSA-N
MW429.59 g/mol
LogP2.59
Rot. Bonds7

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide (PubChem CID 78825134) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
PubChem CID78825134
Molecular FormulaC22H31N5O2S
Molecular Weight429.59 g/mol
Exact Mass429.22
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)C(C)N3CCN(CC(=O)NC(C)C)CC3)n2)cc1
InChIInChI=1S/C22H31N5O2S/c1-15(2)23-20(28)13-26-9-11-27(12-10-26)17(4)21(29)25-22-24-19(14-30-22)18-7-5-16(3)6-8-18/h5-8,14-15,17H,9-13H2,1-4H3,(H,23,28)(H,24,25,29)
InChIKeyDQKIRBNXJVLNFF-UHFFFAOYSA-N
XLogP2.59
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55565869
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458
ethyl 4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17121909
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 86916273
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 78841880
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 34737670
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24561171
2-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 896069
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 8774104
N-(3,4-dichlorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78842119
(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
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470537

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide (CID 78825134) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide is Cc1ccc(-c2csc(NC(=O)C(C)N3CCN(CC(=O)NC(C)C)CC3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide?
The InChIKey is DQKIRBNXJVLNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-15(2)23-20(28)13-26-9-11-27(12-10-26)17(4)21(29)25-22-24-19(14-30-22)18-7-5-16(3)6-8-18/h5-8,14-15,17H,9-13H2,1-4H3,(H,23,28)(H,24,25,29).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide has a molecular weight of 429.59 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 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-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 78825134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).