N-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide

C18H18FN3OS2 — CID 50841344

IUPACN-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)ccc1F
InChIInChI=1S/C18H18FN3OS2/c1-11-9-12(5-6-13(11)19)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)
InChIKeyXCTDSVRYGCLQOY-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.05
Rot. Bonds3

About N-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide

N-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (PubChem CID 50841344) has the molecular formula C18H18FN3OS2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
PubChem CID50841344
Molecular FormulaC18H18FN3OS2
Molecular Weight375.49 g/mol
Exact Mass375.09
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)ccc1F
InChIInChI=1S/C18H18FN3OS2/c1-11-9-12(5-6-13(11)19)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)
InChIKeyXCTDSVRYGCLQOY-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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (CID 50841344) is N-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is Cc1cc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The InChIKey is XCTDSVRYGCLQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS2/c1-11-9-12(5-6-13(11)19)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-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
N-(4-fluoro-3-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-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50841344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).