2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol

C20H24FN7OS — CID 153383383

IUPAC2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol
SMILESCN(c1nc(N)c(/C=C(\N)c2ccc(-c3cn[nH]c3F)cc2O)s1)C1CCNCC1
InChIInChI=1S/C20H24FN7OS/c1-28(12-4-6-24-7-5-12)20-26-19(23)17(30-20)9-15(22)13-3-2-11(8-16(13)29)14-10-25-27-18(14)21/h2-3,8-10,12,24,29H,4-7,22-23H2,1H3,(H,25,27)/b15-9-
InChIKeyHLAHTPSREDATIV-DHDCSXOGSA-N
MW429.53 g/mol
LogP2.61
Rot. Bonds5

About 2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol

2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol (PubChem CID 153383383) has the molecular formula C20H24FN7OS and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol
PubChem CID153383383
Molecular FormulaC20H24FN7OS
Molecular Weight429.53 g/mol
Exact Mass429.17
IUPAC Name2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol
SMILESCN(c1nc(N)c(/C=C(\N)c2ccc(-c3cn[nH]c3F)cc2O)s1)C1CCNCC1
InChIInChI=1S/C20H24FN7OS/c1-28(12-4-6-24-7-5-12)20-26-19(23)17(30-20)9-15(22)13-3-2-11(8-16(13)29)14-10-25-27-18(14)21/h2-3,8-10,12,24,29H,4-7,22-23H2,1H3,(H,25,27)/b15-9-
InChIKeyHLAHTPSREDATIV-DHDCSXOGSA-N
XLogP2.61
TPSA129.11 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 155047490
3,4-Difluoro-2-(5-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)-1,3,4-thiadiazol-2-yl)-5-(1H-pyrazol-4-yl)phenol
CID 136242969
3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 136611482
2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 136611498
5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(pyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
CID 151278145
2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 152449620
2-[5-[3-(tert-butylamino)pyrrolidin-1-yl]pyrazin-2-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol
CID 139535208
5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
CID 148975341
5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-[methyl-(1-methylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
CID 149679194
2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 149763024
2-[6-[[(3R,4R)-3-fluoropiperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 149931278
2-[6-[[(3R,4S)-3-fluoropiperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 149931279

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol (CID 153383383) is 2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol is CN(c1nc(N)c(/C=C(\N)c2ccc(-c3cn[nH]c3F)cc2O)s1)C1CCNCC1.
What is the InChIKey of 2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol?
The InChIKey is HLAHTPSREDATIV-DHDCSXOGSA-N. The full InChI is InChI=1S/C20H24FN7OS/c1-28(12-4-6-24-7-5-12)20-26-19(23)17(30-20)9-15(22)13-3-2-11(8-16(13)29)14-10-25-27-18(14)21/h2-3,8-10,12,24,29H,4-7,22-23H2,1H3,(H,25,27)/b15-9-.
What are the key properties of 2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol?
2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol has a molecular weight of 429.53 g/mol, XLogP of 2.61, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-2-[4-amino-2-[methyl(piperidin-4-yl)amino]-1,3-thiazol-5-yl]ethenyl]-5-(5-fluoro-1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 153383383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).