4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline

C18H21N3OS2 — CID 118618671

IUPAC4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline
SMILESCOc1ccc(NCc2cc3sc(N4CCCCC4)nc3s2)cc1
InChIInChI=1S/C18H21N3OS2/c1-22-14-7-5-13(6-8-14)19-12-15-11-16-17(23-15)20-18(24-16)21-9-3-2-4-10-21/h5-8,11,19H,2-4,9-10,12H2,1H3
InChIKeyDYHSNXDATUNFCQ-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.97
Rot. Bonds5

About 4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline

4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline (PubChem CID 118618671) has the molecular formula C18H21N3OS2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline
PubChem CID118618671
Molecular FormulaC18H21N3OS2
Molecular Weight359.52 g/mol
Exact Mass359.11
IUPAC Name4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline
SMILESCOc1ccc(NCc2cc3sc(N4CCCCC4)nc3s2)cc1
InChIInChI=1S/C18H21N3OS2/c1-22-14-7-5-13(6-8-14)19-12-15-11-16-17(23-15)20-18(24-16)21-9-3-2-4-10-21/h5-8,11,19H,2-4,9-10,12H2,1H3
InChIKeyDYHSNXDATUNFCQ-UHFFFAOYSA-N
XLogP4.97
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline (CID 118618671) is 4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline is COc1ccc(NCc2cc3sc(N4CCCCC4)nc3s2)cc1.
What is the InChIKey of 4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline?
The InChIKey is DYHSNXDATUNFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS2/c1-22-14-7-5-13(6-8-14)19-12-15-11-16-17(23-15)20-18(24-16)21-9-3-2-4-10-21/h5-8,11,19H,2-4,9-10,12H2,1H3.
What are the key properties of 4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline?
4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline has a molecular weight of 359.52 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-piperidin-1-ylthieno[2,3-d][1,3]thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 118618671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).