(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone

C12H11N3OS — CID 62787759

IUPAC(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)cs1
InChIInChI=1S/C12H11N3OS/c13-12-14-10(7-17-12)11(16)15-5-8-3-1-2-4-9(8)6-15/h1-4,7H,5-6H2,(H2,13,14)
InChIKeyXYYSLUUVIUPZLI-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.88
Rot. Bonds1

About (2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone

(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 62787759) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID62787759
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1nc(C(=O)N2Cc3ccccc3C2)cs1
InChIInChI=1S/C12H11N3OS/c13-12-14-10(7-17-12)11(16)15-5-8-3-1-2-4-9(8)6-15/h1-4,7H,5-6H2,(H2,13,14)
InChIKeyXYYSLUUVIUPZLI-UHFFFAOYSA-N
XLogP1.88
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
(2-amino-1,3-thiazol-4-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63522293
(2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 126451698
(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408809
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 62787900
2-(2-amino-1,3-thiazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 62789153
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide
CID 107842728
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
CID 62787048
(2-benzyl-1,3-thiazol-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 39877890
2-[1-(2-amino-1,3-thiazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116682305

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 62787759) is (2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is Nc1nc(C(=O)N2Cc3ccccc3C2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is XYYSLUUVIUPZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-12-14-10(7-17-12)11(16)15-5-8-3-1-2-4-9(8)6-15/h1-4,7H,5-6H2,(H2,13,14).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 245.31 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 62787759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).