2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole

C18H19F3N4S — CID 133320162

IUPAC2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole
SMILESCC(C)c1nc2c(n1C)CCN(c1nc3cc(C(F)(F)F)ccc3s1)C2
InChIInChI=1S/C18H19F3N4S/c1-10(2)16-22-13-9-25(7-6-14(13)24(16)3)17-23-12-8-11(18(19,20)21)4-5-15(12)26-17/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyFQGSOFLUCQXPFP-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.73
Rot. Bonds2

About 2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole

2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 133320162) has the molecular formula C18H19F3N4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole
PubChem CID133320162
Molecular FormulaC18H19F3N4S
Molecular Weight380.44 g/mol
Exact Mass380.13
IUPAC Name2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole
SMILESCC(C)c1nc2c(n1C)CCN(c1nc3cc(C(F)(F)F)ccc3s1)C2
InChIInChI=1S/C18H19F3N4S/c1-10(2)16-22-13-9-25(7-6-14(13)24(16)3)17-23-12-8-11(18(19,20)21)4-5-15(12)26-17/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyFQGSOFLUCQXPFP-UHFFFAOYSA-N
XLogP4.73
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole (CID 133320162) is 2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole is CC(C)c1nc2c(n1C)CCN(c1nc3cc(C(F)(F)F)ccc3s1)C2.
What is the InChIKey of 2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is FQGSOFLUCQXPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4S/c1-10(2)16-22-13-9-25(7-6-14(13)24(16)3)17-23-12-8-11(18(19,20)21)4-5-15(12)26-17/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole?
2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 380.44 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 133320162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).