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

C27H24FN5O3S2 — CID 118618792

IUPACN-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(Cn2cc(F)c(-c3ccc(NC(=O)c4cc5sc(N6CCOCC6)nc5s4)cc3)n2)cc1
InChIInChI=1S/C27H24FN5O3S2/c1-35-20-8-2-17(3-9-20)15-33-16-21(28)24(31-33)18-4-6-19(7-5-18)29-25(34)22-14-23-26(37-22)30-27(38-23)32-10-12-36-13-11-32/h2-9,14,16H,10-13,15H2,1H3,(H,29,34)
InChIKeyUXDQIRZHVQRHLM-UHFFFAOYSA-N
MW549.65 g/mol
LogP5.51
Rot. Bonds7

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

N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618792) has the molecular formula C27H24FN5O3S2 and a molecular weight of 549.65 g/mol. Its IUPAC name is N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618792
Molecular FormulaC27H24FN5O3S2
Molecular Weight549.65 g/mol
Exact Mass549.13
IUPAC NameN-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(Cn2cc(F)c(-c3ccc(NC(=O)c4cc5sc(N6CCOCC6)nc5s4)cc3)n2)cc1
InChIInChI=1S/C27H24FN5O3S2/c1-35-20-8-2-17(3-9-20)15-33-16-21(28)24(31-33)18-4-6-19(7-5-18)29-25(34)22-14-23-26(37-22)30-27(38-23)32-10-12-36-13-11-32/h2-9,14,16H,10-13,15H2,1H3,(H,29,34)
InChIKeyUXDQIRZHVQRHLM-UHFFFAOYSA-N
XLogP5.51
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.65
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[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-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 44522335
N-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 164705833
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 54484322
N-[4-(4-fluoro-1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618805
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
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-(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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[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-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618792) is N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[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-morpholin-4-ylthieno[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-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is COc1ccc(Cn2cc(F)c(-c3ccc(NC(=O)c4cc5sc(N6CCOCC6)nc5s4)cc3)n2)cc1.
What is the InChIKey of N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is UXDQIRZHVQRHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3S2/c1-35-20-8-2-17(3-9-20)15-33-16-21(28)24(31-33)18-4-6-19(7-5-18)29-25(34)22-14-23-26(37-22)30-27(38-23)32-10-12-36-13-11-32/h2-9,14,16H,10-13,15H2,1H3,(H,29,34).
What are the key properties of N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 549.65 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 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-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).