N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C14H13N3O2S2 — CID 767828

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCc1csc(NC(=O)CCn2c(=O)sc3ccccc32)n1
InChIInChI=1S/C14H13N3O2S2/c1-9-8-20-13(15-9)16-12(18)6-7-17-10-4-2-3-5-11(10)21-14(17)19/h2-5,8H,6-7H2,1H3,(H,15,16,18)
InChIKeyLDVRMIBHMMUCJM-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.86
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 767828) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID767828
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCc1csc(NC(=O)CCn2c(=O)sc3ccccc32)n1
InChIInChI=1S/C14H13N3O2S2/c1-9-8-20-13(15-9)16-12(18)6-7-17-10-4-2-3-5-11(10)21-14(17)19/h2-5,8H,6-7H2,1H3,(H,15,16,18)
InChIKeyLDVRMIBHMMUCJM-UHFFFAOYSA-N
XLogP2.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 767828) is N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is Cc1csc(NC(=O)CCn2c(=O)sc3ccccc32)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is LDVRMIBHMMUCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-9-8-20-13(15-9)16-12(18)6-7-17-10-4-2-3-5-11(10)21-14(17)19/h2-5,8H,6-7H2,1H3,(H,15,16,18).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 319.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 767828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).