N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C24H27N5O2S2 — CID 87183151

IUPACN-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=S)N2CCc3nc(C(=O)Nc4cc(C(C)C)ccc4N)sc3C2)cc1
InChIInChI=1S/C24H27N5O2S2/c1-14(2)15-4-9-18(25)20(12-15)27-22(30)23-28-19-10-11-29(13-21(19)33-23)24(32)26-16-5-7-17(31-3)8-6-16/h4-9,12,14H,10-11,13,25H2,1-3H3,(H,26,32)(H,27,30)
InChIKeyDHZRZRLSFROCFH-UHFFFAOYSA-N
MW481.65 g/mol
LogP4.86
Rot. Bonds5

About N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 87183151) has the molecular formula C24H27N5O2S2 and a molecular weight of 481.65 g/mol. Its IUPAC name is N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID87183151
Molecular FormulaC24H27N5O2S2
Molecular Weight481.65 g/mol
Exact Mass481.16
IUPAC NameN-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=S)N2CCc3nc(C(=O)Nc4cc(C(C)C)ccc4N)sc3C2)cc1
InChIInChI=1S/C24H27N5O2S2/c1-14(2)15-4-9-18(25)20(12-15)27-22(30)23-28-19-10-11-29(13-21(19)33-23)24(32)26-16-5-7-17(31-3)8-6-16/h4-9,12,14H,10-11,13,25H2,1-3H3,(H,26,32)(H,27,30)
InChIKeyDHZRZRLSFROCFH-UHFFFAOYSA-N
XLogP4.86
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methoxyphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 87183312
N-(2-amino-5-propan-2-ylphenyl)-5-[(E)-2-nitro-1-(4-propan-2-ylanilino)ethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 25231100
N-(2-amino-5-methoxyphenyl)-5-[1-(4-methoxyanilino)-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66864018
2-N-(2-amino-5-thiophen-3-ylphenyl)-5-N-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
CID 66865016
N-(2-amino-5-methoxyphenyl)-5-[2-(butylamino)-2-oxoacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66864107
N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66864913
2-N-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxamide
CID 66864763
N-(2-amino-5-propylphenyl)-5-[N-(4-methoxyphenyl)-C-(nitromethyl)carbonimidoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 91311953
butyl 2-[(2-aminophenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 66864881
N-[2-[(4-chlorophenyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155533938
N-(2-aminophenyl)-5-[(Z)-1-[4-(dimethylamino)anilino]-2-nitroethenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 66864090
N-[2-[(3-chlorophenyl)carbamoyl]-4-methoxyphenyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 155517733

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 87183151) is N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is COc1ccc(NC(=S)N2CCc3nc(C(=O)Nc4cc(C(C)C)ccc4N)sc3C2)cc1.
What is the InChIKey of N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is DHZRZRLSFROCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S2/c1-14(2)15-4-9-18(25)20(12-15)27-22(30)23-28-19-10-11-29(13-21(19)33-23)24(32)26-16-5-7-17(31-3)8-6-16/h4-9,12,14H,10-11,13,25H2,1-3H3,(H,26,32)(H,27,30).
What are the key properties of N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 481.65 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-propan-2-ylphenyl)-5-[(4-methoxyphenyl)carbamothioyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 87183151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).