N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride

C18H15ClF2N4OS — CID 146597879

IUPACN-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1c(F)cc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1F.Cl
InChIInChI=1S/C18H14F2N4OS.ClH/c1-10-16(24-6-4-3-5-15(24)21-10)14-9-26-18(23-14)22-11-7-12(19)17(25-2)13(20)8-11;/h3-9H,1-2H3,(H,22,23);1H
InChIKeyFTUUJEYISOBOCF-UHFFFAOYSA-N
MW408.86 g/mol
LogP5.22
Rot. Bonds4

About N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride

N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 146597879) has the molecular formula C18H15ClF2N4OS and a molecular weight of 408.86 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID146597879
Molecular FormulaC18H15ClF2N4OS
Molecular Weight408.86 g/mol
Exact Mass408.06
IUPAC NameN-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCOc1c(F)cc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1F.Cl
InChIInChI=1S/C18H14F2N4OS.ClH/c1-10-16(24-6-4-3-5-15(24)21-10)14-9-26-18(23-14)22-11-7-12(19)17(25-2)13(20)8-11;/h3-9H,1-2H3,(H,22,23);1H
InChIKeyFTUUJEYISOBOCF-UHFFFAOYSA-N
XLogP5.22
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.86
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine
CID 1117196
JK184
CID 1069686
N-(4-methoxyphenyl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)acetamide
CID 6618978
3-[[4-(2-Methylimidazo[1,2-a]pyridin-3-yl)-2-thiazolyl]amino]phenol
CID 3128426
N-(2-aminoethyl)-4-(3-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093436
N-(2-aminoethyl)-4-(4-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093437
N-[3-(1H-imidazol-1-yl)propyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 6539205
N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 667521
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 2877432
N-(4-ethoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine hydrobromide
CID 2877569
N-(4-Methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine hydrobromide
CID 2877597
CID 2877735
CID 2877735

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride (CID 146597879) is N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride is COc1c(F)cc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1F.Cl.
What is the InChIKey of N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is FTUUJEYISOBOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4OS.ClH/c1-10-16(24-6-4-3-5-15(24)21-10)14-9-26-18(23-14)22-11-7-12(19)17(25-2)13(20)8-11;/h3-9H,1-2H3,(H,22,23);1H.
What are the key properties of N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?
N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 408.86 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 146597879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).