(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine

C18H21FN4S — CID 42196859

IUPAC(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine
SMILESCc1nc2sccn2c1CN1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN4S/c1-13-17(23-9-10-24-18(23)20-13)12-22-8-2-3-16(11-22)21-15-6-4-14(19)5-7-15/h4-7,9-10,16,21H,2-3,8,11-12H2,1H3/t16-/m0/s1
InChIKeyJTURJHJNPZBHPM-INIZCTEOSA-N
MW344.46 g/mol
LogP3.92
Rot. Bonds4

About (3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine

(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine (PubChem CID 42196859) has the molecular formula C18H21FN4S and a molecular weight of 344.46 g/mol. Its IUPAC name is (3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine
PubChem CID42196859
Molecular FormulaC18H21FN4S
Molecular Weight344.46 g/mol
Exact Mass344.15
IUPAC Name(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine
SMILESCc1nc2sccn2c1CN1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C18H21FN4S/c1-13-17(23-9-10-24-18(23)20-13)12-22-8-2-3-16(11-22)21-15-6-4-14(19)5-7-15/h4-7,9-10,16,21H,2-3,8,11-12H2,1H3/t16-/m0/s1
InChIKeyJTURJHJNPZBHPM-INIZCTEOSA-N
XLogP3.92
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 45239684
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
CID 42197512
(3S)-N-(4-fluorophenyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-amine
CID 42525472
5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 110104090
6-methyl-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 38996171
4-[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765812
6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 97159618
N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 45191184
5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 56859725
N-[(3S)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]-2-methylpropanamide
CID 97335197
N-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45227733
2-[(2R)-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51902897

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine (CID 42196859) is (3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine is Cc1nc2sccn2c1CN1CCC[C@H](Nc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine?
The InChIKey is JTURJHJNPZBHPM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN4S/c1-13-17(23-9-10-24-18(23)20-13)12-22-8-2-3-16(11-22)21-15-6-4-14(19)5-7-15/h4-7,9-10,16,21H,2-3,8,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine?
(3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine has a molecular weight of 344.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-fluorophenyl)-1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 42196859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).