N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

C28H29FN4O2S2 — CID 118618298

IUPACN-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(Cc3ccc(F)cc3)CC2)cc1)c1cc2sc(N3CCOCC3)nc2s1
InChIInChI=1S/C28H29FN4O2S2/c29-21-3-1-19(2-4-21)17-20-9-11-32(12-10-20)23-7-5-22(6-8-23)30-26(34)24-18-25-27(36-24)31-28(37-25)33-13-15-35-16-14-33/h1-8,18,20H,9-17H2,(H,30,34)
InChIKeyCAVIXWJYEBTWCZ-UHFFFAOYSA-N
MW536.70 g/mol
LogP6.04
Rot. Bonds6

About N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide

N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618298) has the molecular formula C28H29FN4O2S2 and a molecular weight of 536.70 g/mol. Its IUPAC name is N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618298
Molecular FormulaC28H29FN4O2S2
Molecular Weight536.70 g/mol
Exact Mass536.17
IUPAC NameN-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCC(Cc3ccc(F)cc3)CC2)cc1)c1cc2sc(N3CCOCC3)nc2s1
InChIInChI=1S/C28H29FN4O2S2/c29-21-3-1-19(2-4-21)17-20-9-11-32(12-10-20)23-7-5-22(6-8-23)30-26(34)24-18-25-27(36-24)31-28(37-25)33-13-15-35-16-14-33/h1-8,18,20H,9-17H2,(H,30,34)
InChIKeyCAVIXWJYEBTWCZ-UHFFFAOYSA-N
XLogP6.04
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.70
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618298) is N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(N2CCC(Cc3ccc(F)cc3)CC2)cc1)c1cc2sc(N3CCOCC3)nc2s1.
What is the InChIKey of N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is CAVIXWJYEBTWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2S2/c29-21-3-1-19(2-4-21)17-20-9-11-32(12-10-20)23-7-5-22(6-8-23)30-26(34)24-18-25-27(36-24)31-28(37-25)33-13-15-35-16-14-33/h1-8,18,20H,9-17H2,(H,30,34).
What are the key properties of N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 536.70 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).