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

C26H31F3N4O2S — CID 138670906

IUPAC2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide
SMILESCc1nc2cccc(C(=O)NC3CCC(CCN4CCc5sc(CCC(F)(F)F)nc5C4)CC3)c2o1
InChIInChI=1S/C26H31F3N4O2S/c1-16-30-20-4-2-3-19(24(20)35-16)25(34)31-18-7-5-17(6-8-18)10-13-33-14-11-22-21(15-33)32-23(36-22)9-12-26(27,28)29/h2-4,17-18H,5-15H2,1H3,(H,31,34)
InChIKeyGSYAIZSFPDMLMD-UHFFFAOYSA-N
MW520.62 g/mol
LogP5.82
Rot. Bonds7

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

2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide (PubChem CID 138670906) has the molecular formula C26H31F3N4O2S and a molecular weight of 520.62 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide
PubChem CID138670906
Molecular FormulaC26H31F3N4O2S
Molecular Weight520.62 g/mol
Exact Mass520.21
IUPAC Name2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide
SMILESCc1nc2cccc(C(=O)NC3CCC(CCN4CCc5sc(CCC(F)(F)F)nc5C4)CC3)c2o1
InChIInChI=1S/C26H31F3N4O2S/c1-16-30-20-4-2-3-19(24(20)35-16)25(34)31-18-7-5-17(6-8-18)10-13-33-14-11-22-21(15-33)32-23(36-22)9-12-26(27,28)29/h2-4,17-18H,5-15H2,1H3,(H,31,34)
InChIKeyGSYAIZSFPDMLMD-UHFFFAOYSA-N
XLogP5.82
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.62
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide (CID 138670906) is 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide is Cc1nc2cccc(C(=O)NC3CCC(CCN4CCc5sc(CCC(F)(F)F)nc5C4)CC3)c2o1.
What is the InChIKey of 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide?
The InChIKey is GSYAIZSFPDMLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N4O2S/c1-16-30-20-4-2-3-19(24(20)35-16)25(34)31-18-7-5-17(6-8-18)10-13-33-14-11-22-21(15-33)32-23(36-22)9-12-26(27,28)29/h2-4,17-18H,5-15H2,1H3,(H,31,34).
What are the key properties of 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide?
2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide has a molecular weight of 520.62 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 138670906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).