N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide

C20H27N5O4S2 — CID 174547288

IUPACN-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cncc(S(=O)(=O)CC=CNCCN3CCOCC3)c2)s1
InChIInChI=1S/C20H27N5O4S2/c1-15-19(30-20(23-15)24-16(2)26)17-12-18(14-22-13-17)31(27,28)11-3-4-21-5-6-25-7-9-29-10-8-25/h3-4,12-14,21H,5-11H2,1-2H3,(H,23,24,26)
InChIKeyFUXSXAFBTCQNLO-UHFFFAOYSA-N
MW465.60 g/mol
LogP1.68
Rot. Bonds9

About N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 174547288) has the molecular formula C20H27N5O4S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide
PubChem CID174547288
Molecular FormulaC20H27N5O4S2
Molecular Weight465.60 g/mol
Exact Mass465.15
IUPAC NameN-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cncc(S(=O)(=O)CC=CNCCN3CCOCC3)c2)s1
InChIInChI=1S/C20H27N5O4S2/c1-15-19(30-20(23-15)24-16(2)26)17-12-18(14-22-13-17)31(27,28)11-3-4-21-5-6-25-7-9-29-10-8-25/h3-4,12-14,21H,5-11H2,1-2H3,(H,23,24,26)
InChIKeyFUXSXAFBTCQNLO-UHFFFAOYSA-N
XLogP1.68
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide (CID 174547288) is N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cncc(S(=O)(=O)CC=CNCCN3CCOCC3)c2)s1.
What is the InChIKey of N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FUXSXAFBTCQNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S2/c1-15-19(30-20(23-15)24-16(2)26)17-12-18(14-22-13-17)31(27,28)11-3-4-21-5-6-25-7-9-29-10-8-25/h3-4,12-14,21H,5-11H2,1-2H3,(H,23,24,26).
What are the key properties of N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 465.60 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[5-[3-(2-morpholin-4-ylethylamino)prop-2-enylsulfonyl]-3-pyridinyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 174547288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).