N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide

C17H28N4OS — CID 164638829

IUPACN-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
SMILESCC(C)[C@H](CNC(=O)c1nc2c(s1)CCC2)N1CCN(C)CC1
InChIInChI=1S/C17H28N4OS/c1-12(2)14(21-9-7-20(3)8-10-21)11-18-16(22)17-19-13-5-4-6-15(13)23-17/h12,14H,4-11H2,1-3H3,(H,18,22)/t14-/m0/s1
InChIKeyBAKNFOBJMOVCSN-AWEZNQCLSA-N
MW336.51 g/mol
LogP1.63
Rot. Bonds5

About N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide

N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide (PubChem CID 164638829) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
PubChem CID164638829
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC NameN-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
SMILESCC(C)[C@H](CNC(=O)c1nc2c(s1)CCC2)N1CCN(C)CC1
InChIInChI=1S/C17H28N4OS/c1-12(2)14(21-9-7-20(3)8-10-21)11-18-16(22)17-19-13-5-4-6-15(13)23-17/h12,14H,4-11H2,1-3H3,(H,18,22)/t14-/m0/s1
InChIKeyBAKNFOBJMOVCSN-AWEZNQCLSA-N
XLogP1.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
CID 137998078
N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
CID 164634350
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75497427
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97794846
(3R)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97794847
1-[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899847
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 166236601
(2S,4S)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-methyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 166289149
1-(4-((5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)methyl)piperazin-1-yl)ethanone
CID 44060292
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56911500
[4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone
CID 70947009
(6S)-6-amino-N,1'-dimethylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-2-carboxamide
CID 167047832

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide (CID 164638829) is N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide is CC(C)[C@H](CNC(=O)c1nc2c(s1)CCC2)N1CCN(C)CC1.
What is the InChIKey of N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
The InChIKey is BAKNFOBJMOVCSN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-12(2)14(21-9-7-20(3)8-10-21)11-18-16(22)17-19-13-5-4-6-15(13)23-17/h12,14H,4-11H2,1-3H3,(H,18,22)/t14-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide?
N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide has a molecular weight of 336.51 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 164638829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).