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

C18H18FN3OS2 — CID 50841220

IUPACN-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C18H18FN3OS2/c1-11-5-6-12(19)9-13(11)20-16(23)15-10-14-17(24-15)25-18(21-14)22-7-3-2-4-8-22/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,23)
InChIKeyNIIFDRJXBKNQPV-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.05
Rot. Bonds3

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

N-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (PubChem CID 50841220) has the molecular formula C18H18FN3OS2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
PubChem CID50841220
Molecular FormulaC18H18FN3OS2
Molecular Weight375.49 g/mol
Exact Mass375.09
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C18H18FN3OS2/c1-11-5-6-12(19)9-13(11)20-16(23)15-10-14-17(24-15)25-18(21-14)22-7-3-2-4-8-22/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,23)
InChIKeyNIIFDRJXBKNQPV-UHFFFAOYSA-N
XLogP5.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(4-(4-Methylbenzo[d]thiazol-2-yl)piperazin-1-yl)(thiophen-2-yl)methanone
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CID 4788896
N-((1-(benzo[d]thiazol-2-yl)piperidin-4-yl)methyl)thiophene-3-carboxamide
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1-benzyl-N-[2-(thiophene-2-carbonylamino)-1,3-benzothiazol-6-yl]piperidine-4-carboxamide
CID 177639177
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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (CID 50841220) is N-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is Cc1ccc(F)cc1NC(=O)c1cc2nc(N3CCCCC3)sc2s1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The InChIKey is NIIFDRJXBKNQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS2/c1-11-5-6-12(19)9-13(11)20-16(23)15-10-14-17(24-15)25-18(21-14)22-7-3-2-4-8-22/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,23).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
N-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50841220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).