N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide

C22H18Cl2N4O2S — CID 53242151

IUPACN-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide
SMILESCOc1ccc(C2(c3cccc(NC(=O)c4ncc(Cl)cc4Cl)c3)CSC(N)=N2)cc1
InChIInChI=1S/C22H18Cl2N4O2S/c1-30-17-7-5-13(6-8-17)22(12-31-21(25)28-22)14-3-2-4-16(9-14)27-20(29)19-18(24)10-15(23)11-26-19/h2-11H,12H2,1H3,(H2,25,28)(H,27,29)
InChIKeyGMISMHJPBMSIFP-UHFFFAOYSA-N
MW473.39 g/mol
LogP4.95
Rot. Bonds5

About N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide

N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide (PubChem CID 53242151) has the molecular formula C22H18Cl2N4O2S and a molecular weight of 473.39 g/mol. Its IUPAC name is N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide
PubChem CID53242151
Molecular FormulaC22H18Cl2N4O2S
Molecular Weight473.39 g/mol
Exact Mass472.05
IUPAC NameN-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide
SMILESCOc1ccc(C2(c3cccc(NC(=O)c4ncc(Cl)cc4Cl)c3)CSC(N)=N2)cc1
InChIInChI=1S/C22H18Cl2N4O2S/c1-30-17-7-5-13(6-8-17)22(12-31-21(25)28-22)14-3-2-4-16(9-14)27-20(29)19-18(24)10-15(23)11-26-19/h2-11H,12H2,1H3,(H2,25,28)(H,27,29)
InChIKeyGMISMHJPBMSIFP-UHFFFAOYSA-N
XLogP4.95
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4aR,11bR)-2-amino-3,3,11b-trimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[4,5-b][1,4]thiazin-10-yl]-5-chloro-3-methylpyridine-2-carboxamide
CID 90308598
N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide
CID 134131775
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-5-methoxyphenyl]-5-chloropyridine-2-carboxamide
CID 57626952
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-5-(methoxymethyl)phenyl]-5-chloropyridine-2-carboxamide
CID 57627308
N-[3-[2-amino-4-[4-(trifluoromethoxy)phenyl]-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide
CID 68254044
N-[3-[2-amino-4-(3-hydroxy-4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide
CID 68254149
N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide
CID 78105159
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-5-propan-2-yloxyphenyl]-5-chloropyridine-2-carboxamide
CID 57627943
US10238743, Example 11
CID 121264099
US20160046618, Example 990
CID 118865978
US20160046618, Example 624
CID 118866223
N-[3-[(4aR,8aS)-2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-(trifluoromethoxy)phenyl]-5-chloropyridine-2-carboxamide
CID 45279498

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide?
The IUPAC name of N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide (CID 53242151) is N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide?
The canonical SMILES for N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide is COc1ccc(C2(c3cccc(NC(=O)c4ncc(Cl)cc4Cl)c3)CSC(N)=N2)cc1.
What is the InChIKey of N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide?
The InChIKey is GMISMHJPBMSIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2S/c1-30-17-7-5-13(6-8-17)22(12-31-21(25)28-22)14-3-2-4-16(9-14)27-20(29)19-18(24)10-15(23)11-26-19/h2-11H,12H2,1H3,(H2,25,28)(H,27,29).
What are the key properties of N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide?
N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide has a molecular weight of 473.39 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide is sourced from PubChem (CID 53242151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).