N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid

C16H24F3N3O4S — CID 154887510

IUPACN-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid
SMILESCc1csc(C(C)N(C)C(=O)CCN2CCOCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N3O2S.C2HF3O2/c1-11-10-20-14(15-11)12(2)16(3)13(18)4-5-17-6-8-19-9-7-17;3-2(4,5)1(6)7/h10,12H,4-9H2,1-3H3;(H,6,7)
InChIKeySRTMPFRVAZSERF-UHFFFAOYSA-N
MW411.45 g/mol
LogP2.33
Rot. Bonds5

About N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid

N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 154887510) has the molecular formula C16H24F3N3O4S and a molecular weight of 411.45 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID154887510
Molecular FormulaC16H24F3N3O4S
Molecular Weight411.45 g/mol
Exact Mass411.14
IUPAC NameN-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid
SMILESCc1csc(C(C)N(C)C(=O)CCN2CCOCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N3O2S.C2HF3O2/c1-11-10-20-14(15-11)12(2)16(3)13(18)4-5-17-6-8-19-9-7-17;3-2(4,5)1(6)7/h10,12H,4-9H2,1-3H3;(H,6,7)
InChIKeySRTMPFRVAZSERF-UHFFFAOYSA-N
XLogP2.33
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid (CID 154887510) is N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid is Cc1csc(C(C)N(C)C(=O)CCN2CCOCC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is SRTMPFRVAZSERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.C2HF3O2/c1-11-10-20-14(15-11)12(2)16(3)13(18)4-5-17-6-8-19-9-7-17;3-2(4,5)1(6)7/h10,12H,4-9H2,1-3H3;(H,6,7).
What are the key properties of N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid?
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 411.45 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-morpholin-4-ylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).