5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine

C12H13N3O2S2 — CID 103380917

IUPAC5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
SMILESCS(=O)(=O)c1c(N)nsc1N1Cc2ccccc2C1
InChIInChI=1S/C12H13N3O2S2/c1-19(16,17)10-11(13)14-18-12(10)15-6-8-4-2-3-5-9(8)7-15/h2-5H,6-7H2,1H3,(H2,13,14)
InChIKeySHZFWEFJWOIDMV-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.65
Rot. Bonds2

About 5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine

5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine (PubChem CID 103380917) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
PubChem CID103380917
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
SMILESCS(=O)(=O)c1c(N)nsc1N1Cc2ccccc2C1
InChIInChI=1S/C12H13N3O2S2/c1-19(16,17)10-11(13)14-18-12(10)15-6-8-4-2-3-5-9(8)7-15/h2-5H,6-7H2,1H3,(H2,13,14)
InChIKeySHZFWEFJWOIDMV-UHFFFAOYSA-N
XLogP1.65
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylsulfonyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2-thiazol-3-amine
CID 103382080
5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103361947
5-(4-tert-butylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103379610
4-methylsulfonyl-5-(1,4-oxazepan-4-yl)-1,2-thiazol-3-amine
CID 103381681
4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381800
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103382138
1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103381033
4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine
CID 103379933
5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103381332
3-amino-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,2-thiazole-4-carboxamide
CID 103381813
3-(1,3-dihydroisoindol-2-ylsulfonyl)-2,4-dimethylaniline
CID 62204818
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361819

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine?
The IUPAC name of 5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine (CID 103380917) is 5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine is CS(=O)(=O)c1c(N)nsc1N1Cc2ccccc2C1.
What is the InChIKey of 5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine?
The InChIKey is SHZFWEFJWOIDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-19(16,17)10-11(13)14-18-12(10)15-6-8-4-2-3-5-9(8)7-15/h2-5H,6-7H2,1H3,(H2,13,14).
What are the key properties of 5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine?
5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine has a molecular weight of 295.39 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroisoindol-2-yl)-4-methylsulfonyl-1,2-thiazol-3-amine is sourced from PubChem (CID 103380917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).