N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C18H21N3O2S — CID 70750862

IUPACN-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCc1scnc1C
InChIInChI=1S/C18H21N3O2S/c1-11-16(24-10-19-11)7-8-17(23)21-18-14-6-4-3-5-13(14)9-15(18)20-12(2)22/h3-6,10,15,18H,7-9H2,1-2H3,(H,20,22)(H,21,23)/t15-,18-/m1/s1
InChIKeyQOIYIBQTWCIMRF-CRAIPNDOSA-N
MW343.45 g/mol
LogP2.30
Rot. Bonds5

About N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 70750862) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID70750862
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCc1scnc1C
InChIInChI=1S/C18H21N3O2S/c1-11-16(24-10-19-11)7-8-17(23)21-18-14-6-4-3-5-13(14)9-15(18)20-12(2)22/h3-6,10,15,18H,7-9H2,1-2H3,(H,20,22)(H,21,23)/t15-,18-/m1/s1
InChIKeyQOIYIBQTWCIMRF-CRAIPNDOSA-N
XLogP2.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]acetamide
CID 130969150
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 103816966
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 91778637
3-(1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 111696380
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
2-(2-chlorophenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]acetic acid
CID 72887014
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 56910837
3-(4-methyl-1,3-thiazol-5-yl)-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 96577447
4-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
CID 107216794
N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 77080296
3-(2-ethoxyphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 110903509

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 70750862) is N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCc1scnc1C.
What is the InChIKey of N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is QOIYIBQTWCIMRF-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-11-16(24-10-19-11)7-8-17(23)21-18-14-6-4-3-5-13(14)9-15(18)20-12(2)22/h3-6,10,15,18H,7-9H2,1-2H3,(H,20,22)(H,21,23)/t15-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 343.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 70750862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).