N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide

C18H20F3N7OS — CID 66749819

IUPACN-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)CC1
InChIInChI=1S/C18H20F3N7OS/c1-9(29)25-11-2-4-12(5-3-11)26-16-27-28-14(8-24-17(28)30-16)10-6-13(18(19,20)21)15(22)23-7-10/h6-8,11-12H,2-5H2,1H3,(H2,22,23)(H,25,29)(H,26,27)
InChIKeyNOXXCTZNGZGKKO-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.31
Rot. Bonds4

About N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide

N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide (PubChem CID 66749819) has the molecular formula C18H20F3N7OS and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide
PubChem CID66749819
Molecular FormulaC18H20F3N7OS
Molecular Weight439.47 g/mol
Exact Mass439.14
IUPAC NameN-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)CC1
InChIInChI=1S/C18H20F3N7OS/c1-9(29)25-11-2-4-12(5-3-11)26-16-27-28-14(8-24-17(28)30-16)10-6-13(18(19,20)21)15(22)23-7-10/h6-8,11-12H,2-5H2,1H3,(H2,22,23)(H,25,29)(H,26,27)
InChIKeyNOXXCTZNGZGKKO-UHFFFAOYSA-N
XLogP3.31
TPSA110.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide (CID 66749819) is N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)CC1.
What is the InChIKey of N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is NOXXCTZNGZGKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7OS/c1-9(29)25-11-2-4-12(5-3-11)26-16-27-28-14(8-24-17(28)30-16)10-6-13(18(19,20)21)15(22)23-7-10/h6-8,11-12H,2-5H2,1H3,(H2,22,23)(H,25,29)(H,26,27).
What are the key properties of N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide?
N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 439.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 66749819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).