N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C20H19N3O2S2 — CID 39155108

IUPACN-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CC(=O)N(Cc2cccs2)C2CC2)cs1)c1ccccc1
InChIInChI=1S/C20H19N3O2S2/c24-18(23(16-8-9-16)12-17-7-4-10-26-17)11-15-13-27-20(21-15)22-19(25)14-5-2-1-3-6-14/h1-7,10,13,16H,8-9,11-12H2,(H,21,22,25)
InChIKeyAOJHGTWOEGYXPG-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.19
Rot. Bonds7

About N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 39155108) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID39155108
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC NameN-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CC(=O)N(Cc2cccs2)C2CC2)cs1)c1ccccc1
InChIInChI=1S/C20H19N3O2S2/c24-18(23(16-8-9-16)12-17-7-4-10-26-17)11-15-13-27-20(21-15)22-19(25)14-5-2-1-3-6-14/h1-7,10,13,16H,8-9,11-12H2,(H,21,22,25)
InChIKeyAOJHGTWOEGYXPG-UHFFFAOYSA-N
XLogP4.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 39155108) is N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(CC(=O)N(Cc2cccs2)C2CC2)cs1)c1ccccc1.
What is the InChIKey of N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is AOJHGTWOEGYXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c24-18(23(16-8-9-16)12-17-7-4-10-26-17)11-15-13-27-20(21-15)22-19(25)14-5-2-1-3-6-14/h1-7,10,13,16H,8-9,11-12H2,(H,21,22,25).
What are the key properties of N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 397.53 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 39155108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).