2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide

C19H25N3O3S — CID 10970826

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1csc(N)n1)C1Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C19H25N3O3S/c1-4-5-22(18(23)10-14-11-26-19(20)21-14)15-6-12-8-16(24-2)17(25-3)9-13(12)7-15/h8-9,11,15H,4-7,10H2,1-3H3,(H2,20,21)
InChIKeyBSTOILHSXHIUQR-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.69
Rot. Bonds7

About 2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide (PubChem CID 10970826) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide
PubChem CID10970826
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1csc(N)n1)C1Cc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C19H25N3O3S/c1-4-5-22(18(23)10-14-11-26-19(20)21-14)15-6-12-8-16(24-2)17(25-3)9-13(12)7-15/h8-9,11,15H,4-7,10H2,1-3H3,(H2,20,21)
InChIKeyBSTOILHSXHIUQR-UHFFFAOYSA-N
XLogP2.69
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide (CID 10970826) is 2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide is CCCN(C(=O)Cc1csc(N)n1)C1Cc2cc(OC)c(OC)cc2C1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide?
The InChIKey is BSTOILHSXHIUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-4-5-22(18(23)10-14-11-26-19(20)21-14)15-6-12-8-16(24-2)17(25-3)9-13(12)7-15/h8-9,11,15H,4-7,10H2,1-3H3,(H2,20,21).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide has a molecular weight of 375.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide is sourced from PubChem (CID 10970826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).