3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one

C13H23N3OS — CID 10333309

IUPAC3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one
SMILESCCNc1nc(C)c(C(=O)CCN(CC)CC)s1
InChIInChI=1S/C13H23N3OS/c1-5-14-13-15-10(4)12(18-13)11(17)8-9-16(6-2)7-3/h5-9H2,1-4H3,(H,14,15)
InChIKeyOVOZDHCOHQOWKY-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.80
Rot. Bonds8

About 3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one

3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one (PubChem CID 10333309) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one
PubChem CID10333309
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one
SMILESCCNc1nc(C)c(C(=O)CCN(CC)CC)s1
InChIInChI=1S/C13H23N3OS/c1-5-14-13-15-10(4)12(18-13)11(17)8-9-16(6-2)7-3/h5-9H2,1-4H3,(H,14,15)
InChIKeyOVOZDHCOHQOWKY-UHFFFAOYSA-N
XLogP2.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one (CID 10333309) is 3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one is CCNc1nc(C)c(C(=O)CCN(CC)CC)s1.
What is the InChIKey of 3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is OVOZDHCOHQOWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-14-13-15-10(4)12(18-13)11(17)8-9-16(6-2)7-3/h5-9H2,1-4H3,(H,14,15).
What are the key properties of 3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one?
3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 269.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 10333309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).