N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide

C17H14ClN3O2S — CID 2481995

IUPACN-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1nc2ccccc2s1
InChIInChI=1S/C17H14ClN3O2S/c18-12-6-2-1-5-11(12)16(23)19-10-9-15(22)21-17-20-13-7-3-4-8-14(13)24-17/h1-8H,9-10H2,(H,19,23)(H,20,21,22)
InChIKeyNERVUMPWNAROJF-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.71
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide

N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide (PubChem CID 2481995) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide
PubChem CID2481995
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC NameN-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1nc2ccccc2s1
InChIInChI=1S/C17H14ClN3O2S/c18-12-6-2-1-5-11(12)16(23)19-10-9-15(22)21-17-20-13-7-3-4-8-14(13)24-17/h1-8H,9-10H2,(H,19,23)(H,20,21,22)
InChIKeyNERVUMPWNAROJF-UHFFFAOYSA-N
XLogP3.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide (CID 2481995) is N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide is O=C(CCNC(=O)c1ccccc1Cl)Nc1nc2ccccc2s1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide?
The InChIKey is NERVUMPWNAROJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c18-12-6-2-1-5-11(12)16(23)19-10-9-15(22)21-17-20-13-7-3-4-8-14(13)24-17/h1-8H,9-10H2,(H,19,23)(H,20,21,22).
What are the key properties of N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide?
N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide has a molecular weight of 359.84 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-2-chlorobenzamide is sourced from PubChem (CID 2481995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).