2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide

C13H14ClN3O2S — CID 2482646

IUPAC2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NC1=NCCS1
InChIInChI=1S/C13H14ClN3O2S/c14-10-4-2-1-3-9(10)12(19)15-6-5-11(18)17-13-16-7-8-20-13/h1-4H,5-8H2,(H,15,19)(H,16,17,18)
InChIKeySYCULHPEZNHERN-UHFFFAOYSA-N
MW311.79 g/mol
LogP1.68
Rot. Bonds4

About 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide

2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide (PubChem CID 2482646) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide
PubChem CID2482646
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NC1=NCCS1
InChIInChI=1S/C13H14ClN3O2S/c14-10-4-2-1-3-9(10)12(19)15-6-5-11(18)17-13-16-7-8-20-13/h1-4H,5-8H2,(H,15,19)(H,16,17,18)
InChIKeySYCULHPEZNHERN-UHFFFAOYSA-N
XLogP1.68
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide (CID 2482646) is 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)NC1=NCCS1.
What is the InChIKey of 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide?
The InChIKey is SYCULHPEZNHERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-10-4-2-1-3-9(10)12(19)15-6-5-11(18)17-13-16-7-8-20-13/h1-4H,5-8H2,(H,15,19)(H,16,17,18).
What are the key properties of 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide?
2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide has a molecular weight of 311.79 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 2482646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).