2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid

C14H24N2O2S — CID 82435403

IUPAC2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
SMILESCCN(CC)CCc1nc(C(C)C)c(CC(=O)O)s1
InChIInChI=1S/C14H24N2O2S/c1-5-16(6-2)8-7-12-15-14(10(3)4)11(19-12)9-13(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyPVUXLCYWKJLZAQ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.78
Rot. Bonds8

About 2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid

2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82435403) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
PubChem CID82435403
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
SMILESCCN(CC)CCc1nc(C(C)C)c(CC(=O)O)s1
InChIInChI=1S/C14H24N2O2S/c1-5-16(6-2)8-7-12-15-14(10(3)4)11(19-12)9-13(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyPVUXLCYWKJLZAQ-UHFFFAOYSA-N
XLogP2.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435214
2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid
CID 82069378
2-[2-(ethylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82434501
2-[4-propan-2-yl-2-(propan-2-ylsulfonylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82434518
2-[2-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435498
2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82434092
2-[2-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432920
N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 62403200
2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82435380
2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid
CID 82431548
2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069250
2-[2-[1-[ethyl(2-hydroxyethyl)amino]propan-2-yl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82163048

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid (CID 82435403) is 2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid is CCN(CC)CCc1nc(C(C)C)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is PVUXLCYWKJLZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-16(6-2)8-7-12-15-14(10(3)4)11(19-12)9-13(17)18/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid?
2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 284.43 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82435403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).