N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C20H28N4O3S2 — CID 42960905

IUPACN-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCCC(C)C(NC(=O)c1csc(-c2ccsc2)n1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C20H28N4O3S2/c1-3-14(2)17(19(26)21-5-6-24-7-9-27-10-8-24)23-18(25)16-13-29-20(22-16)15-4-11-28-12-15/h4,11-14,17H,3,5-10H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyCFRXXGJIYVFGRL-UHFFFAOYSA-N
MW436.60 g/mol
LogP2.46
Rot. Bonds9

About N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 42960905) has the molecular formula C20H28N4O3S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID42960905
Molecular FormulaC20H28N4O3S2
Molecular Weight436.60 g/mol
Exact Mass436.16
IUPAC NameN-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCCC(C)C(NC(=O)c1csc(-c2ccsc2)n1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C20H28N4O3S2/c1-3-14(2)17(19(26)21-5-6-24-7-9-27-10-8-24)23-18(25)16-13-29-20(22-16)15-4-11-28-12-15/h4,11-14,17H,3,5-10H2,1-2H3,(H,21,26)(H,23,25)
InChIKeyCFRXXGJIYVFGRL-UHFFFAOYSA-N
XLogP2.46
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 42960905) is N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CCC(C)C(NC(=O)c1csc(-c2ccsc2)n1)C(=O)NCCN1CCOCC1.
What is the InChIKey of N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CFRXXGJIYVFGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S2/c1-3-14(2)17(19(26)21-5-6-24-7-9-27-10-8-24)23-18(25)16-13-29-20(22-16)15-4-11-28-12-15/h4,11-14,17H,3,5-10H2,1-2H3,(H,21,26)(H,23,25).
What are the key properties of N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42960905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).