N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide

C23H29FN4O2S — CID 126711822

IUPACN-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)C4CCCC4)CC3)c2C)s1
InChIInChI=1S/C23H29FN4O2S/c1-15-18(11-19(24)12-20(15)26-22(29)21-13-25-16(2)31-21)14-27-7-9-28(10-8-27)23(30)17-5-3-4-6-17/h11-13,17H,3-10,14H2,1-2H3,(H,26,29)
InChIKeyWRFFSQGWXCMCRO-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.99
Rot. Bonds5

About N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide

N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 126711822) has the molecular formula C23H29FN4O2S and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID126711822
Molecular FormulaC23H29FN4O2S
Molecular Weight444.58 g/mol
Exact Mass444.20
IUPAC NameN-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)C4CCCC4)CC3)c2C)s1
InChIInChI=1S/C23H29FN4O2S/c1-15-18(11-19(24)12-20(15)26-22(29)21-13-25-16(2)31-21)14-27-7-9-28(10-8-27)23(30)17-5-3-4-6-17/h11-13,17H,3-10,14H2,1-2H3,(H,26,29)
InChIKeyWRFFSQGWXCMCRO-UHFFFAOYSA-N
XLogP3.99
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[5-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-2-yl]methylamino]ethyl]acetamide
CID 164628232
N-[4-(3-fluorophenyl)phenyl]-1-[(2-methylthiazol-5-yl)methyl]nipecotamide
CID 24820094
6-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylanilino]-6-oxo-4-(1,3-thiazol-2-yl)hexanoic acid
CID 162644891
US11319299, Example 496
CID 164608117
US11319299, Example 497
CID 164608118
US11319299, Example 499
CID 164885351
N-phenyl-3-[1-(1,3-thiazol-5-ylcarbonyl)-4-piperidinyl]propanamide
CID 24817156
N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
CID 24817466
N-(2,3-dimethylphenyl)-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]butanamide
CID 75428456
N-[3-(4-fluorophenyl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 45234407
N-[(1S)-1-(cyclohexylmethyl)-2-(cyclopropylamino)-2-oxo-ethyl]-2-[[6-(trifluoromethyl)indolin-1-yl]methyl]thiazole-5-carboxamide
CID 171424507
(S)—N-(3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl)-2-((7-(trifluoromethyl)-3,4-dihydroquinolin-1(2H)-yl)methyl)thiazole-5-carboxamide
CID 171902530

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 126711822) is N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2cc(F)cc(CN3CCN(C(=O)C4CCCC4)CC3)c2C)s1.
What is the InChIKey of N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WRFFSQGWXCMCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2S/c1-15-18(11-19(24)12-20(15)26-22(29)21-13-25-16(2)31-21)14-27-7-9-28(10-8-27)23(30)17-5-3-4-6-17/h11-13,17H,3-10,14H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126711822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).