1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one

C11H21N3OS — CID 10105847

IUPAC1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one
SMILESCCN(CC)CCC(=O)C1SC(N)=NC1C
InChIInChI=1S/C11H21N3OS/c1-4-14(5-2)7-6-9(15)10-8(3)13-11(12)16-10/h8,10H,4-7H2,1-3H3,(H2,12,13)
InChIKeyFTDBTFQXKQQGOW-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.11
Rot. Bonds6

About 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one

1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one (PubChem CID 10105847) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one
PubChem CID10105847
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one
SMILESCCN(CC)CCC(=O)C1SC(N)=NC1C
InChIInChI=1S/C11H21N3OS/c1-4-14(5-2)7-6-9(15)10-8(3)13-11(12)16-10/h8,10H,4-7H2,1-3H3,(H2,12,13)
InChIKeyFTDBTFQXKQQGOW-UHFFFAOYSA-N
XLogP1.11
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one?
The IUPAC name of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one (CID 10105847) is 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one.
What is the SMILES notation for 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one?
The canonical SMILES for 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one is CCN(CC)CCC(=O)C1SC(N)=NC1C.
What is the InChIKey of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one?
The InChIKey is FTDBTFQXKQQGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-14(5-2)7-6-9(15)10-8(3)13-11(12)16-10/h8,10H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one?
1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one has a molecular weight of 243.38 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one is sourced from PubChem (CID 10105847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).