N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide

C25H30F2N4O3S — CID 138670460

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3nc4ccccc4o3)CC1)C2
InChIInChI=1S/C25H30F2N4O3S/c1-25(26,27)15-33-24-30-19-14-31(13-11-21(19)35-24)12-10-16-6-8-17(9-7-16)28-22(32)23-29-18-4-2-3-5-20(18)34-23/h2-5,16-17H,6-15H2,1H3,(H,28,32)
InChIKeyIWGYEODWQVMRNA-UHFFFAOYSA-N
MW504.60 g/mol
LogP5.06
Rot. Bonds8

About N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide (PubChem CID 138670460) has the molecular formula C25H30F2N4O3S and a molecular weight of 504.60 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide
PubChem CID138670460
Molecular FormulaC25H30F2N4O3S
Molecular Weight504.60 g/mol
Exact Mass504.20
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3nc4ccccc4o3)CC1)C2
InChIInChI=1S/C25H30F2N4O3S/c1-25(26,27)15-33-24-30-19-14-31(13-11-21(19)35-24)12-10-16-6-8-17(9-7-16)28-22(32)23-29-18-4-2-3-5-20(18)34-23/h2-5,16-17H,6-15H2,1H3,(H,28,32)
InChIKeyIWGYEODWQVMRNA-UHFFFAOYSA-N
XLogP5.06
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.60
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide with MolForge

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Related Compounds

rac-((2S,3R)-2-((benzo[d]oxazol-2-ylamino)methyl)-3-methylpiperidin-1-yl)(2-methyl-5-phenylthiazol-4-yl)methanone
CID 70685888
2-(2-Benzoxazolylthio)-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]acetamide
CID 2335620
[(2S,6S)-2-[(1,3-benzoxazol-2-ylamino)methyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 70694257
6-(4-Fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methyl-1,3-benzoxazole
CID 151541213
[2-[(1,3-Benzoxazol-2-ylamino)methyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 77914734
[(2S,3S)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-propan-2-ylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 89739884
rac-((2S,3R)-2-((benzo[d]oxazol-2-ylamino)methyl)-3-methylpiperidin-1-yl)(5-(4-fluorophenyl)-2-methylthiazol-4-yl)methanone
CID 89748144
[(2S,3R)-2-(1,3-benzoxazol-2-yloxymethyl)-3-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 89748229
US9896452, Example 13
CID 89748237
[(2S,3S)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 89748239
[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-ethylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 89748252
2-(1,3-benzoxazol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 71865496

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide (CID 138670460) is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide is CC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(NC(=O)c3nc4ccccc4o3)CC1)C2.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide?
The InChIKey is IWGYEODWQVMRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N4O3S/c1-25(26,27)15-33-24-30-19-14-31(13-11-21(19)35-24)12-10-16-6-8-17(9-7-16)28-22(32)23-29-18-4-2-3-5-20(18)34-23/h2-5,16-17H,6-15H2,1H3,(H,28,32).
What are the key properties of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide?
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide has a molecular weight of 504.60 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 138670460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).