2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide

C20H29N4OS+ — CID 9356426

IUPAC2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCc1sc(N2CC[NH+](C)CC2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H28N4OS/c1-14-17(22-19(26-14)24-12-10-23(5)11-13-24)15-6-8-16(9-7-15)21-18(25)20(2,3)4/h6-9H,10-13H2,1-5H3,(H,21,25)/p+1
InChIKeyKTKZVTHKXNGNJE-UHFFFAOYSA-O
MW373.55 g/mol
LogP2.44
Rot. Bonds3

About 2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide

2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 9356426) has the molecular formula C20H29N4OS+ and a molecular weight of 373.55 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID9356426
Molecular FormulaC20H29N4OS+
Molecular Weight373.55 g/mol
Exact Mass373.21
IUPAC Name2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCc1sc(N2CC[NH+](C)CC2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C20H28N4OS/c1-14-17(22-19(26-14)24-12-10-23(5)11-13-24)15-6-8-16(9-7-15)21-18(25)20(2,3)4/h6-9H,10-13H2,1-5H3,(H,21,25)/p+1
InChIKeyKTKZVTHKXNGNJE-UHFFFAOYSA-O
XLogP2.44
TPSA49.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 8750603
N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 9356294
4-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 86880810
N-(4-methylphenyl)-4-phenyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 18859801
methyl 6-[[4-[4-(2,2-dimethylpropanoylamino)phenyl]-5-methyl-1,3-thiazol-2-yl]amino]hexanoate
CID 9422564
2-[4-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39163891
N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 82342260
N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356378
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 1458252
5-methyl-4-phenyl-2-piperidin-1-yl-1,3-thiazole
CID 129303200
3-chloro-2,2-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769918
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide (CID 9356426) is 2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide is Cc1sc(N2CC[NH+](C)CC2)nc1-c1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is KTKZVTHKXNGNJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H28N4OS/c1-14-17(22-19(26-14)24-12-10-23(5)11-13-24)15-6-8-16(9-7-15)21-18(25)20(2,3)4/h6-9H,10-13H2,1-5H3,(H,21,25)/p+1.
What are the key properties of 2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide?
2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 373.55 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 9356426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).