2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide

C24H24N4O2S — CID 53233667

IUPAC2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)CN)s2)cc1C#N
InChIInChI=1S/C24H24N4O2S/c1-14(2)30-21-9-6-15(10-16(21)11-25)24-27-13-22(31-24)19-5-3-4-18-17(19)7-8-20(18)28-23(29)12-26/h3-6,9-10,13-14,20H,7-8,12,26H2,1-2H3,(H,28,29)/t20-/m0/s1
InChIKeyWWSGRTGRLZTZED-FQEVSTJZSA-N
MW432.55 g/mol
LogP4.20
Rot. Bonds6

About 2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide

2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 53233667) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID53233667
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)CN)s2)cc1C#N
InChIInChI=1S/C24H24N4O2S/c1-14(2)30-21-9-6-15(10-16(21)11-25)24-27-13-22(31-24)19-5-3-4-18-17(19)7-8-20(18)28-23(29)12-26/h3-6,9-10,13-14,20H,7-8,12,26H2,1-2H3,(H,28,29)/t20-/m0/s1
InChIKeyWWSGRTGRLZTZED-FQEVSTJZSA-N
XLogP4.20
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide (CID 53233667) is 2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CC[C@@H]4NC(=O)CN)s2)cc1C#N.
What is the InChIKey of 2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is WWSGRTGRLZTZED-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-14(2)30-21-9-6-15(10-16(21)11-25)24-27-13-22(31-24)19-5-3-4-18-17(19)7-8-20(18)28-23(29)12-26/h3-6,9-10,13-14,20H,7-8,12,26H2,1-2H3,(H,28,29)/t20-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide?
2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 432.55 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 53233667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).