N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide

C18H20N4O2S2 — CID 118618399

IUPACN-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3sc(N4CCN(C)CC4)nc3s2)cc1
InChIInChI=1S/C18H20N4O2S2/c1-21-7-9-22(10-8-21)18-20-17-15(26-18)11-14(25-17)16(23)19-12-3-5-13(24-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,23)
InChIKeyONAPBGQRGNZWSV-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.37
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618399) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618399
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC NameN-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3sc(N4CCN(C)CC4)nc3s2)cc1
InChIInChI=1S/C18H20N4O2S2/c1-21-7-9-22(10-8-21)18-20-17-15(26-18)11-14(25-17)16(23)19-12-3-5-13(24-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,23)
InChIKeyONAPBGQRGNZWSV-UHFFFAOYSA-N
XLogP3.37
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618803
N-(4-methoxyphenyl)-2-propan-2-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618813
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-5-carboxamide
CID 118618806
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781
N-[4-(5-methyl-2,3-dihydro-1,3,4-oxadiazol-2-yl)phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 155311084
N-(4-methoxyphenyl)-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 32728329
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783713
N-[4-(4-chloro-1-methylpyrazol-3-yl)phenyl]-2-[4-(dimethylcarbamoyl)piperidin-1-yl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783709
methyl 5-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 134050303
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 7998095
N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 139007461
N-[4-(aminomethyl)-2-methoxyphenyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166270653

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618399) is N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide is COc1ccc(NC(=O)c2cc3sc(N4CCN(C)CC4)nc3s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is ONAPBGQRGNZWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-21-7-9-22(10-8-21)18-20-17-15(26-18)11-14(25-17)16(23)19-12-3-5-13(24-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,23).
What are the key properties of N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).