2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide

C17H21N3O4S2 — CID 1236908

IUPAC2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C17H21N3O4S2/c1-12(2)16(21)19-17-18-15(11-25-17)13-3-5-14(6-4-13)26(22,23)20-7-9-24-10-8-20/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,21)
InChIKeyGQVLBTXOVGKXTG-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.43
Rot. Bonds5

About 2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 1236908) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID1236908
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C17H21N3O4S2/c1-12(2)16(21)19-17-18-15(11-25-17)13-3-5-14(6-4-13)26(22,23)20-7-9-24-10-8-20/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,21)
InChIKeyGQVLBTXOVGKXTG-UHFFFAOYSA-N
XLogP2.43
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
2-Morpholino-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2336901
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-morpholinyl)acetamide
CID 6468522
3-methyl-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}butanamide
CID 1236909
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 1811788
N-[4-(4-methylphenyl)-2-thiazolyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide
CID 2461136
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 4050918
1-[4-(3-Methylsulfonylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44143157
1-[4-(2-Methylsulfonylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144342
N-[4-[3-[(4-oct-1-ynylphenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]acetamide
CID 126508527
4-(4-Piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 1285323
N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8963138

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide (CID 1236908) is 2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide is CC(C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of 2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is GQVLBTXOVGKXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-12(2)16(21)19-17-18-15(11-25-17)13-3-5-14(6-4-13)26(22,23)20-7-9-24-10-8-20/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,21).
What are the key properties of 2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 395.51 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 1236908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).