4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide

C18H25N3O2S — CID 95092297

IUPAC4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@@H](C)c2sc(C)nc2C)c(O)c1
InChIInChI=1S/C18H25N3O2S/c1-6-21(7-2)14-8-9-15(16(22)10-14)18(23)20-12(4)17-11(3)19-13(5)24-17/h8-10,12,22H,6-7H2,1-5H3,(H,20,23)/t12-/m0/s1
InChIKeyHVNCHBJWEZORHK-LBPRGKRZSA-N
MW347.48 g/mol
LogP3.80
Rot. Bonds6

About 4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide

4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide (PubChem CID 95092297) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide
PubChem CID95092297
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@@H](C)c2sc(C)nc2C)c(O)c1
InChIInChI=1S/C18H25N3O2S/c1-6-21(7-2)14-8-9-15(16(22)10-14)18(23)20-12(4)17-11(3)19-13(5)24-17/h8-10,12,22H,6-7H2,1-5H3,(H,20,23)/t12-/m0/s1
InChIKeyHVNCHBJWEZORHK-LBPRGKRZSA-N
XLogP3.80
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide?
The IUPAC name of 4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide (CID 95092297) is 4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide?
The canonical SMILES for 4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide is CCN(CC)c1ccc(C(=O)N[C@@H](C)c2sc(C)nc2C)c(O)c1.
What is the InChIKey of 4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide?
The InChIKey is HVNCHBJWEZORHK-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-6-21(7-2)14-8-9-15(16(22)10-14)18(23)20-12(4)17-11(3)19-13(5)24-17/h8-10,12,22H,6-7H2,1-5H3,(H,20,23)/t12-/m0/s1.
What are the key properties of 4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide?
4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide has a molecular weight of 347.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 95092297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).