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

C18H13ClF2N4O2S — CID 146597635

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1.Cl
InChIInChI=1S/C18H12F2N4O2S.ClH/c1-10-16(24-7-3-2-4-15(24)21-10)12-9-27-17(23-12)22-11-5-6-13-14(8-11)26-18(19,20)25-13;/h2-9H,1H3,(H,22,23);1H
InChIKeyCYVSZYOWWAPAPY-UHFFFAOYSA-N
MW422.84 g/mol
LogP5.25
Rot. Bonds3

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

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 146597635) has the molecular formula C18H13ClF2N4O2S and a molecular weight of 422.84 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID146597635
Molecular FormulaC18H13ClF2N4O2S
Molecular Weight422.84 g/mol
Exact Mass422.04
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride
SMILESCc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1.Cl
InChIInChI=1S/C18H12F2N4O2S.ClH/c1-10-16(24-7-3-2-4-15(24)21-10)12-9-27-17(23-12)22-11-5-6-13-14(8-11)26-18(19,20)25-13;/h2-9H,1H3,(H,22,23);1H
InChIKeyCYVSZYOWWAPAPY-UHFFFAOYSA-N
XLogP5.25
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.84
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Cudc-305
CID 44156921
JK184
CID 1069686
1-[(2R)-4-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89726174
3-[[4-(2-Methylimidazo[1,2-a]pyridin-3-yl)-2-thiazolyl]amino]phenol
CID 3128426
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-Methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine hydrobromide
CID 2877597
N-(1,3-benzodioxol-5-yl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 7299199
N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 704904
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 1239380
1-[(2R)-4-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
CID 89726334
(S)-(1-(4-((1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-1H-imidazol-4-yl)amino)thieno[2,3-d]pyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 142498031

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride (CID 146597635) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride is Cc1nc2ccccn2c1-c1csc(Nc2ccc3c(c2)OC(F)(F)O3)n1.Cl.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is CYVSZYOWWAPAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2S.ClH/c1-10-16(24-7-3-2-4-15(24)21-10)12-9-27-17(23-12)22-11-5-6-13-14(8-11)26-18(19,20)25-13;/h2-9H,1H3,(H,22,23);1H.
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 422.84 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 146597635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).