N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

C23H25FN6S — CID 155525880

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs1)CCCCC2
InChIInChI=1S/C23H25FN6S/c1-3-30-22(17-7-5-4-6-8-19(17)28-30)27-23-26-20(13-31-23)16-9-10-21(18(24)11-16)29-12-15(2)25-14-29/h9-14H,3-8H2,1-2H3,(H,26,27)
InChIKeyXZSZHBDACAQPPG-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.67
Rot. Bonds5

About N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 155525880) has the molecular formula C23H25FN6S and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID155525880
Molecular FormulaC23H25FN6S
Molecular Weight436.56 g/mol
Exact Mass436.18
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs1)CCCCC2
InChIInChI=1S/C23H25FN6S/c1-3-30-22(17-7-5-4-6-8-19(17)28-30)27-23-26-20(13-31-23)16-9-10-21(18(24)11-16)29-12-15(2)25-14-29/h9-14H,3-8H2,1-2H3,(H,26,27)
InChIKeyXZSZHBDACAQPPG-UHFFFAOYSA-N
XLogP5.67
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

Thiazole derivative 4
CID 73891136
7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 138571253
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2573156
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 56592635
N-(3-tert-butyl-1-propylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875492
N-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875808
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 88875879
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657800
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 89657801
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
CID 89657803
N-(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 89657806

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 155525880) is N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is CCn1nc2c(c1Nc1nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs1)CCCCC2.
What is the InChIKey of N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is XZSZHBDACAQPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6S/c1-3-30-22(17-7-5-4-6-8-19(17)28-30)27-23-26-20(13-31-23)16-9-10-21(18(24)11-16)29-12-15(2)25-14-29/h9-14H,3-8H2,1-2H3,(H,26,27).
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 436.56 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155525880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).