5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

C19H20FN3OS2 — CID 55996813

IUPAC5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2nc(CN3CCCCC3)cs2)sc2ccc(F)cc12
InChIInChI=1S/C19H20FN3OS2/c1-12-15-9-13(20)5-6-16(15)26-17(12)18(24)22-19-21-14(11-25-19)10-23-7-3-2-4-8-23/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,21,22,24)
InChIKeyZRJDBKWQHDHXLJ-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.04
Rot. Bonds4

About 5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 55996813) has the molecular formula C19H20FN3OS2 and a molecular weight of 389.52 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID55996813
Molecular FormulaC19H20FN3OS2
Molecular Weight389.52 g/mol
Exact Mass389.10
IUPAC Name5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2nc(CN3CCCCC3)cs2)sc2ccc(F)cc12
InChIInChI=1S/C19H20FN3OS2/c1-12-15-9-13(20)5-6-16(15)26-17(12)18(24)22-19-21-14(11-25-19)10-23-7-3-2-4-8-23/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,21,22,24)
InChIKeyZRJDBKWQHDHXLJ-UHFFFAOYSA-N
XLogP5.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 30183181
5-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)-1-benzothiophene-2-carboxamide
CID 60567024
2,4-difluoro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 134051932
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182384
5-bromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 78775861
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 154737418
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
4,5-dibromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30135053
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9169455

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide (CID 55996813) is 5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2nc(CN3CCCCC3)cs2)sc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is ZRJDBKWQHDHXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS2/c1-12-15-9-13(20)5-6-16(15)26-17(12)18(24)22-19-21-14(11-25-19)10-23-7-3-2-4-8-23/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,21,22,24).
What are the key properties of 5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55996813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).