N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

C19H21N3O3S2 — CID 118618754

IUPACN-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc3sc(N4CCCCC4)nc3s2)cc(OC)c1
InChIInChI=1S/C19H21N3O3S2/c1-24-13-8-12(9-14(10-13)25-2)20-17(23)15-11-16-18(26-15)21-19(27-16)22-6-4-3-5-7-22/h8-11H,3-7H2,1-2H3,(H,20,23)
InChIKeyNYEXMLNBZKPWPK-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.62
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618754) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618754
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC NameN-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc3sc(N4CCCCC4)nc3s2)cc(OC)c1
InChIInChI=1S/C19H21N3O3S2/c1-24-13-8-12(9-14(10-13)25-2)20-17(23)15-11-16-18(26-15)21-19(27-16)22-6-4-3-5-7-22/h8-11H,3-7H2,1-2H3,(H,20,23)
InChIKeyNYEXMLNBZKPWPK-UHFFFAOYSA-N
XLogP4.62
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-2-piperazin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618386
N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618399
2-(dimethylamino)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618658
N-(4-methoxyphenyl)-N-methyl-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618661
N-(4-methoxyphenyl)-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618662
4-methoxy-N-(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)benzamide
CID 118618693
Antitubercular agent-24
CID 118618757
N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618797
2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618803
N-[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]-2-[2-hydroxyethyl(methyl)amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618634
2-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618802
[2-(2-Methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 47034276

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618754) is N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is COc1cc(NC(=O)c2cc3sc(N4CCCCC4)nc3s2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is NYEXMLNBZKPWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-24-13-8-12(9-14(10-13)25-2)20-17(23)15-11-16-18(26-15)21-19(27-16)22-6-4-3-5-7-22/h8-11H,3-7H2,1-2H3,(H,20,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).