acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole

C27H43F2N5OS — CID 145451574

IUPACacetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole
SMILESC#C.C=CN.CC(F)(F)COc1nc2c(s1)CCN(CCC1CCCCC1)C2.CCc1cc(C)[nH]n1
InChIInChI=1S/C17H26F2N2OS.C6H10N2.C2H5N.C2H2/c1-17(18,19)12-22-16-20-14-11-21(10-8-15(14)23-16)9-7-13-5-3-2-4-6-13;1-3-6-4-5(2)7-8-6;1-2-3;1-2/h13H,2-12H2,1H3;4H,3H2,1-2H3,(H,7,8);2H,1,3H2;1-2H
InChIKeyVQZDPKJXBIKCJU-UHFFFAOYSA-N
MW523.74 g/mol
LogP6.12
Rot. Bonds7

About acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole

acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole (PubChem CID 145451574) has the molecular formula C27H43F2N5OS and a molecular weight of 523.74 g/mol. Its IUPAC name is acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole.

Molecular Properties

Compound Nameacetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole
PubChem CID145451574
Molecular FormulaC27H43F2N5OS
Molecular Weight523.74 g/mol
Exact Mass523.32
IUPAC Nameacetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole
SMILESC#C.C=CN.CC(F)(F)COc1nc2c(s1)CCN(CCC1CCCCC1)C2.CCc1cc(C)[nH]n1
InChIInChI=1S/C17H26F2N2OS.C6H10N2.C2H5N.C2H2/c1-17(18,19)12-22-16-20-14-11-21(10-8-15(14)23-16)9-7-13-5-3-2-4-6-13;1-3-6-4-5(2)7-8-6;1-2-3;1-2/h13H,2-12H2,1H3;4H,3H2,1-2H3,(H,7,8);2H,1,3H2;1-2H
InChIKeyVQZDPKJXBIKCJU-UHFFFAOYSA-N
XLogP6.12
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.74
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole?
The IUPAC name of acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole (CID 145451574) is acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole.
What is the SMILES notation for acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole?
The canonical SMILES for acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole is C#C.C=CN.CC(F)(F)COc1nc2c(s1)CCN(CCC1CCCCC1)C2.CCc1cc(C)[nH]n1.
What is the InChIKey of acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole?
The InChIKey is VQZDPKJXBIKCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2OS.C6H10N2.C2H5N.C2H2/c1-17(18,19)12-22-16-20-14-11-21(10-8-15(14)23-16)9-7-13-5-3-2-4-6-13;1-3-6-4-5(2)7-8-6;1-2-3;1-2/h13H,2-12H2,1H3;4H,3H2,1-2H3,(H,7,8);2H,1,3H2;1-2H.
What are the key properties of acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole?
acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole has a molecular weight of 523.74 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;5-(2-cyclohexylethyl)-2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;ethenamine;3-ethyl-5-methyl-1H-pyrazole is sourced from PubChem (CID 145451574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).