N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride

C18H22ClFN4S — CID 118741716

IUPACN-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride
SMILESCc1sc2c(C3CCCNC3)nc(Nc3cccc(F)c3)n2c1C.Cl
InChIInChI=1S/C18H21FN4S.ClH/c1-11-12(2)24-17-16(13-5-4-8-20-10-13)22-18(23(11)17)21-15-7-3-6-14(19)9-15;/h3,6-7,9,13,20H,4-5,8,10H2,1-2H3,(H,21,22);1H
InChIKeyYTIBQLLNXYMMHJ-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.78
Rot. Bonds3

About N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride

N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride (PubChem CID 118741716) has the molecular formula C18H22ClFN4S and a molecular weight of 380.92 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride
PubChem CID118741716
Molecular FormulaC18H22ClFN4S
Molecular Weight380.92 g/mol
Exact Mass380.12
IUPAC NameN-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride
SMILESCc1sc2c(C3CCCNC3)nc(Nc3cccc(F)c3)n2c1C.Cl
InChIInChI=1S/C18H21FN4S.ClH/c1-11-12(2)24-17-16(13-5-4-8-20-10-13)22-18(23(11)17)21-15-7-3-6-14(19)9-15;/h3,6-7,9,13,20H,4-5,8,10H2,1-2H3,(H,21,22);1H
InChIKeyYTIBQLLNXYMMHJ-UHFFFAOYSA-N
XLogP4.78
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-1-[(3S)-piperidin-3-yl]imidazo[1,5-a]pyridin-3-amine
CID 92576988
N-(3-fluorophenyl)-1-piperidin-3-ylimidazo[1,5-a]pyridin-3-amine
CID 46958118
3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine;hydrochloride
CID 164763987
3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-c]pyrimidine-5,7-diamine
CID 164763988
N-(3-methoxyphenyl)-1-piperidin-3-ylimidazo[1,5-a]pyridin-3-amine;dihydrochloride
CID 175654404
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
(3-fluorophenyl)-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 92598291
4-(3-fluorophenyl)-6-methyl-2-[(3S)-piperidin-3-yl]pyrimidine
CID 124746275
3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155104155
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
2-N-(3-fluorophenyl)-4-N-[(3S)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155665983

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride?
The IUPAC name of N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride (CID 118741716) is N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride.
What is the SMILES notation for N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride?
The canonical SMILES for N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride is Cc1sc2c(C3CCCNC3)nc(Nc3cccc(F)c3)n2c1C.Cl.
What is the InChIKey of N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride?
The InChIKey is YTIBQLLNXYMMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4S.ClH/c1-11-12(2)24-17-16(13-5-4-8-20-10-13)22-18(23(11)17)21-15-7-3-6-14(19)9-15;/h3,6-7,9,13,20H,4-5,8,10H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride?
N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,3-dimethyl-7-piperidin-3-ylimidazo[5,1-b][1,3]thiazol-5-amine;hydrochloride is sourced from PubChem (CID 118741716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).