N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C19H25N3O2S — CID 55666102

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCC3(N(C)C)CCCC3)cs2)cc1
InChIInChI=1S/C19H25N3O2S/c1-22(2)19(10-4-5-11-19)13-20-17(23)16-12-25-18(21-16)14-6-8-15(24-3)9-7-14/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,23)
InChIKeyFMIBIFBHHSCERV-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.42
Rot. Bonds6

About N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 55666102) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID55666102
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCC3(N(C)C)CCCC3)cs2)cc1
InChIInChI=1S/C19H25N3O2S/c1-22(2)19(10-4-5-11-19)13-20-17(23)16-12-25-18(21-16)14-6-8-15(24-3)9-7-14/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,23)
InChIKeyFMIBIFBHHSCERV-UHFFFAOYSA-N
XLogP3.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 46462293
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-(2-amino-2-ethylbutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119640344
2-(4-carbamoylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 117088936
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120892014
N-[(4,4-dioxo-1,4-oxathian-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 75396987
2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 59768268
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 120650279
N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119998203
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120888047

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 55666102) is N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NCC3(N(C)C)CCCC3)cs2)cc1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FMIBIFBHHSCERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-22(2)19(10-4-5-11-19)13-20-17(23)16-12-25-18(21-16)14-6-8-15(24-3)9-7-14/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,20,23).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55666102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).