N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide

C20H26FN3OS — CID 59542796

IUPACN-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(Cc1csc(NC2CCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3OS/c1-20(2,3)18(25)24(17-10-8-14(21)9-11-17)12-16-13-26-19(23-16)22-15-6-4-5-7-15/h8-11,13,15H,4-7,12H2,1-3H3,(H,22,23)
InChIKeyQHWMYUZVACERNI-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.22
Rot. Bonds5

About N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide

N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide (PubChem CID 59542796) has the molecular formula C20H26FN3OS and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
PubChem CID59542796
Molecular FormulaC20H26FN3OS
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC NameN-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(Cc1csc(NC2CCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3OS/c1-20(2,3)18(25)24(17-10-8-14(21)9-11-17)12-16-13-26-19(23-16)22-15-6-4-5-7-15/h8-11,13,15H,4-7,12H2,1-3H3,(H,22,23)
InChIKeyQHWMYUZVACERNI-UHFFFAOYSA-N
XLogP5.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2,2-dimethyl-N-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 59542747
N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 59542790
N-[[2-(4,6-dimethylpiperidin-2-yl)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
CID 59542691
N-[[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
CID 59542744
2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid
CID 9154876
N-[[2-[cyclopropyl(ethyl)amino]-1,3-thiazol-4-yl]methyl]-2,2-dimethyl-N-phenylpropanamide
CID 59542700
N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 78825720
N-(4-fluorophenyl)-N-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopropanecarboxamide
CID 24988580
N-(3-chlorocyclohexyl)-4-ethyl-1,3-thiazol-2-amine
CID 164659044
N-(4-fluorophenyl)-N-[[2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]methyl]acetamide
CID 59542751
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947
N-[[6-(diethylamino)-3-pyridinyl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide
CID 24989313

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide (CID 59542796) is N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(Cc1csc(NC2CCCC2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide?
The InChIKey is QHWMYUZVACERNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3OS/c1-20(2,3)18(25)24(17-10-8-14(21)9-11-17)12-16-13-26-19(23-16)22-15-6-4-5-7-15/h8-11,13,15H,4-7,12H2,1-3H3,(H,22,23).
What are the key properties of N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide?
N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide has a molecular weight of 375.51 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylamino)-1,3-thiazol-4-yl]methyl]-N-(4-fluorophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 59542796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).