4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide

C20H29N3O2S — CID 50979426

IUPAC4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCCCN(CCC)Cc1ccc(C(=O)N(CCO)Cc2nccs2)cc1
InChIInChI=1S/C20H29N3O2S/c1-3-10-22(11-4-2)15-17-5-7-18(8-6-17)20(25)23(12-13-24)16-19-21-9-14-26-19/h5-9,14,24H,3-4,10-13,15-16H2,1-2H3
InChIKeyKEKVYEZMKXYDIW-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.40
Rot. Bonds11

About 4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide

4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 50979426) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID50979426
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC Name4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCCCN(CCC)Cc1ccc(C(=O)N(CCO)Cc2nccs2)cc1
InChIInChI=1S/C20H29N3O2S/c1-3-10-22(11-4-2)15-17-5-7-18(8-6-17)20(25)23(12-13-24)16-19-21-9-14-26-19/h5-9,14,24H,3-4,10-13,15-16H2,1-2H3
InChIKeyKEKVYEZMKXYDIW-UHFFFAOYSA-N
XLogP3.40
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 50979426) is 4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide is CCCN(CCC)Cc1ccc(C(=O)N(CCO)Cc2nccs2)cc1.
What is the InChIKey of 4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is KEKVYEZMKXYDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-3-10-22(11-4-2)15-17-5-7-18(8-6-17)20(25)23(12-13-24)16-19-21-9-14-26-19/h5-9,14,24H,3-4,10-13,15-16H2,1-2H3.
What are the key properties of 4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide?
4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 375.54 g/mol, XLogP of 3.40, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 50979426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).