2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide

C17H20FN3OS — CID 118773357

IUPAC2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c1-10-15(23-17(19)20-10)16(22)21-14-4-2-3-12(14)9-11-5-7-13(18)8-6-11/h5-8,12,14H,2-4,9H2,1H3,(H2,19,20)(H,21,22)/t12-,14-/m0/s1
InChIKeyQJTPJZDMCBBJFN-JSGCOSHPSA-N
MW333.43 g/mol
LogP3.31
Rot. Bonds4

About 2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 118773357) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID118773357
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C17H20FN3OS/c1-10-15(23-17(19)20-10)16(22)21-14-4-2-3-12(14)9-11-5-7-13(18)8-6-11/h5-8,12,14H,2-4,9H2,1H3,(H2,19,20)(H,21,22)/t12-,14-/m0/s1
InChIKeyQJTPJZDMCBBJFN-JSGCOSHPSA-N
XLogP3.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 62792561
4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide
CID 156607773
2-[(1R,2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
CID 167940673
2-[(4-fluorophenyl)methyl]-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 120575125
N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide
CID 90648014
N-[2-(aminomethyl)cyclopentyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119603790
N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 118769991
2-amino-4-methyl-N-(2-propylcyclopropyl)-1,3-thiazole-5-carboxamide
CID 104872552
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610117
cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678890
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793752
N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119612126

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 118773357) is 2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QJTPJZDMCBBJFN-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-10-15(23-17(19)20-10)16(22)21-14-4-2-3-12(14)9-11-5-7-13(18)8-6-11/h5-8,12,14H,2-4,9H2,1H3,(H2,19,20)(H,21,22)/t12-,14-/m0/s1.
What are the key properties of 2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118773357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).