N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C25H22FN5O3S2 — CID 144980256

IUPACN-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(Cn2cc(F)c(-c3ccc(NC(=O)c4cc5sc(NCCO)nc5s4)cc3)n2)cc1
InChIInChI=1S/C25H22FN5O3S2/c1-34-18-8-2-15(3-9-18)13-31-14-19(26)22(30-31)16-4-6-17(7-5-16)28-23(33)20-12-21-24(35-20)29-25(36-21)27-10-11-32/h2-9,12,14,32H,10-11,13H2,1H3,(H,27,29)(H,28,33)
InChIKeyPKQZYYDFVABDBA-UHFFFAOYSA-N
MW523.62 g/mol
LogP5.07
Rot. Bonds9

About N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 144980256) has the molecular formula C25H22FN5O3S2 and a molecular weight of 523.62 g/mol. Its IUPAC name is N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID144980256
Molecular FormulaC25H22FN5O3S2
Molecular Weight523.62 g/mol
Exact Mass523.11
IUPAC NameN-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(Cn2cc(F)c(-c3ccc(NC(=O)c4cc5sc(NCCO)nc5s4)cc3)n2)cc1
InChIInChI=1S/C25H22FN5O3S2/c1-34-18-8-2-15(3-9-18)13-31-14-19(26)22(30-31)16-4-6-17(7-5-16)28-23(33)20-12-21-24(35-20)29-25(36-21)27-10-11-32/h2-9,12,14,32H,10-11,13H2,1H3,(H,27,29)(H,28,33)
InChIKeyPKQZYYDFVABDBA-UHFFFAOYSA-N
XLogP5.07
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.62
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide 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

N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 44522019
N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618792
N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 155310775
N-(2-furylmethyl)-5-{1-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl}-4-methyl-1,3-thiazol-2-amine
CID 42368289
N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3170735
N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3170754
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16623088
N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469571
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469574
4-[(4-fluorophenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19469579
N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469580
N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469582

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 144980256) is N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is COc1ccc(Cn2cc(F)c(-c3ccc(NC(=O)c4cc5sc(NCCO)nc5s4)cc3)n2)cc1.
What is the InChIKey of N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is PKQZYYDFVABDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O3S2/c1-34-18-8-2-15(3-9-18)13-31-14-19(26)22(30-31)16-4-6-17(7-5-16)28-23(33)20-12-21-24(35-20)29-25(36-21)27-10-11-32/h2-9,12,14,32H,10-11,13H2,1H3,(H,27,29)(H,28,33).
What are the key properties of N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 523.62 g/mol, XLogP of 5.07, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-(2-hydroxyethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 144980256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).