N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide

C13H13N3O2S — CID 102739009

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C13H13N3O2S/c1-7-12(19-16-15-7)13(18)14-11-9-5-3-2-4-8(9)6-10(11)17/h2-5,10-11,17H,6H2,1H3,(H,14,18)/t10-,11+/m0/s1
InChIKeyYOBQWXUKKDLLGW-WDEREUQCSA-N
MW275.33 g/mol
LogP1.23
Rot. Bonds2

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 102739009) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide
PubChem CID102739009
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C13H13N3O2S/c1-7-12(19-16-15-7)13(18)14-11-9-5-3-2-4-8(9)6-10(11)17/h2-5,10-11,17H,6H2,1H3,(H,14,18)/t10-,11+/m0/s1
InChIKeyYOBQWXUKKDLLGW-WDEREUQCSA-N
XLogP1.23
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 103816966
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
CID 65216329
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 146135154
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
CID 103816856
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103860624
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiophene-3-carboxamide
CID 97065228
3-bromo-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 98559419
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide
CID 96526031
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylpyridine-2-carboxamide
CID 62339488
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 100751090
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide (CID 102739009) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is YOBQWXUKKDLLGW-WDEREUQCSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-7-12(19-16-15-7)13(18)14-11-9-5-3-2-4-8(9)6-10(11)17/h2-5,10-11,17H,6H2,1H3,(H,14,18)/t10-,11+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 102739009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).