N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

C24H29F3N6OS — CID 56659197

IUPACN-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
SMILESCc1ncc(C2CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1
InChIInChI=1S/C24H29F3N6OS/c1-14-28-10-21(35-14)15-3-6-18(7-4-15)33-12-17(13-33)30-22(34)11-29-23-19-9-16(24(25,26)27)5-8-20(19)32(2)31-23/h5,8-10,15,17-18H,3-4,6-7,11-13H2,1-2H3,(H,29,31)(H,30,34)
InChIKeyQESGQSXZLHDYTQ-UHFFFAOYSA-N
MW506.60 g/mol
LogP4.30
Rot. Bonds6

About N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (PubChem CID 56659197) has the molecular formula C24H29F3N6OS and a molecular weight of 506.60 g/mol. Its IUPAC name is N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
PubChem CID56659197
Molecular FormulaC24H29F3N6OS
Molecular Weight506.60 g/mol
Exact Mass506.21
IUPAC NameN-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
SMILESCc1ncc(C2CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1
InChIInChI=1S/C24H29F3N6OS/c1-14-28-10-21(35-14)15-3-6-18(7-4-15)33-12-17(13-33)30-22(34)11-29-23-19-9-16(24(25,26)27)5-8-20(19)32(2)31-23/h5,8-10,15,17-18H,3-4,6-7,11-13H2,1-2H3,(H,29,31)(H,30,34)
InChIKeyQESGQSXZLHDYTQ-UHFFFAOYSA-N
XLogP4.30
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (CID 56659197) is N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is Cc1ncc(C2CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1.
What is the InChIKey of N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The InChIKey is QESGQSXZLHDYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N6OS/c1-14-28-10-21(35-14)15-3-6-18(7-4-15)33-12-17(13-33)30-22(34)11-29-23-19-9-16(24(25,26)27)5-8-20(19)32(2)31-23/h5,8-10,15,17-18H,3-4,6-7,11-13H2,1-2H3,(H,29,31)(H,30,34).
What are the key properties of N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide has a molecular weight of 506.60 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is sourced from PubChem (CID 56659197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).