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

C18H17F2N3O2S2 — CID 118618803

IUPAC2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3sc(N4CCC(F)(F)CC4)nc3s2)cc1
InChIInChI=1S/C18H17F2N3O2S2/c1-25-12-4-2-11(3-5-12)21-15(24)13-10-14-16(26-13)22-17(27-14)23-8-6-18(19,20)7-9-23/h2-5,10H,6-9H2,1H3,(H,21,24)
InChIKeyHHKBZNJHUJOFPL-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.85
Rot. Bonds4

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

2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618803) has the molecular formula C18H17F2N3O2S2 and a molecular weight of 409.48 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618803
Molecular FormulaC18H17F2N3O2S2
Molecular Weight409.48 g/mol
Exact Mass409.07
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3sc(N4CCC(F)(F)CC4)nc3s2)cc1
InChIInChI=1S/C18H17F2N3O2S2/c1-25-12-4-2-11(3-5-12)21-15(24)13-10-14-16(26-13)22-17(27-14)23-8-6-18(19,20)7-9-23/h2-5,10H,6-9H2,1H3,(H,21,24)
InChIKeyHHKBZNJHUJOFPL-UHFFFAOYSA-N
XLogP4.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618399
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-6-carboxamide
CID 118618781
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-5-carboxamide
CID 118618806
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-fluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783713
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-(aminomethyl)-2-methoxyphenyl]-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166270653
2-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-1,3-benzothiazole
CID 163349331
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
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
N-(1-cyclopropyl-2-methoxyethyl)-2-pyrrolidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 139007461
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618803) is 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is COc1ccc(NC(=O)c2cc3sc(N4CCC(F)(F)CC4)nc3s2)cc1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is HHKBZNJHUJOFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S2/c1-25-12-4-2-11(3-5-12)21-15(24)13-10-14-16(26-13)22-17(27-14)23-8-6-18(19,20)7-9-23/h2-5,10H,6-9H2,1H3,(H,21,24).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 409.48 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-N-(4-methoxyphenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).