1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

C21H30F3N3O3S — CID 167756443

IUPAC1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCc2nc(NC(=O)C3(C4CCCCC4)CC3)sc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H29N3OS.C2HF3O2/c1-13(2)22-11-8-15-16(12-22)24-18(20-15)21-17(23)19(9-10-19)14-6-4-3-5-7-14;3-2(4,5)1(6)7/h13-14H,3-12H2,1-2H3,(H,20,21,23);(H,6,7)
InChIKeyOQNUCUGSHBJXOZ-UHFFFAOYSA-N
MW461.55 g/mol
LogP4.84
Rot. Bonds4

About 1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 167756443) has the molecular formula C21H30F3N3O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID167756443
Molecular FormulaC21H30F3N3O3S
Molecular Weight461.55 g/mol
Exact Mass461.20
IUPAC Name1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCc2nc(NC(=O)C3(C4CCCCC4)CC3)sc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H29N3OS.C2HF3O2/c1-13(2)22-11-8-15-16(12-22)24-18(20-15)21-17(23)19(9-10-19)14-6-4-3-5-7-14;3-2(4,5)1(6)7/h13-14H,3-12H2,1-2H3,(H,20,21,23);(H,6,7)
InChIKeyOQNUCUGSHBJXOZ-UHFFFAOYSA-N
XLogP4.84
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-chloro-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 16809110
1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrolidine-2-carboxamide
CID 44976189
N-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531084
5-propan-2-yl-N-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 62943100
4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 18567168
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 44827108
N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine
CID 62544662
methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
CID 90529232
1-amino-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119828524
N-cyclopentyl-N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108506003
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095264
N-methyl-1-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanamine
CID 62545145

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid (CID 167756443) is 1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is CC(C)N1CCc2nc(NC(=O)C3(C4CCCCC4)CC3)sc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is OQNUCUGSHBJXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS.C2HF3O2/c1-13(2)22-11-8-15-16(12-22)24-18(20-15)21-17(23)19(9-10-19)14-6-4-3-5-7-14;3-2(4,5)1(6)7/h13-14H,3-12H2,1-2H3,(H,20,21,23);(H,6,7).
What are the key properties of 1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid?
1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 461.55 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167756443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).