N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide

C14H15N3O3S2 — CID 1458414

IUPACN-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)cs1
InChIInChI=1S/C14H15N3O3S2/c1-9(18)15-14-16-12(8-21-14)10-3-4-13-11(7-10)5-6-17(13)22(2,19)20/h3-4,7-8H,5-6H2,1-2H3,(H,15,16,18)
InChIKeyXAZFMIOYNXWNCL-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.09
Rot. Bonds3

About N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide

N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1458414) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID1458414
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC NameN-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)cs1
InChIInChI=1S/C14H15N3O3S2/c1-9(18)15-14-16-12(8-21-14)10-3-4-13-11(7-10)5-6-17(13)22(2,19)20/h3-4,7-8H,5-6H2,1-2H3,(H,15,16,18)
InChIKeyXAZFMIOYNXWNCL-UHFFFAOYSA-N
XLogP2.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide (CID 1458414) is N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)cs1.
What is the InChIKey of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XAZFMIOYNXWNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-9(18)15-14-16-12(8-21-14)10-3-4-13-11(7-10)5-6-17(13)22(2,19)20/h3-4,7-8H,5-6H2,1-2H3,(H,15,16,18).
What are the key properties of N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 337.43 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1458414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).