(3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine

C12H19N3O2S2 — CID 171916366

IUPAC(3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
SMILESCc1nc(CCN2C[C@H]3[C@H](N)CS(=O)(=O)[C@H]3C2)cs1
InChIInChI=1S/C12H19N3O2S2/c1-8-14-9(6-18-8)2-3-15-4-10-11(13)7-19(16,17)12(10)5-15/h6,10-12H,2-5,7,13H2,1H3/t10-,11+,12-/m0/s1
InChIKeyNOYNUNIBWKRSED-TUAOUCFPSA-N
MW301.44 g/mol
LogP0.05
Rot. Bonds3

About (3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine

(3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine (PubChem CID 171916366) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is (3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine.

Molecular Properties

Compound Name(3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
PubChem CID171916366
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name(3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
SMILESCc1nc(CCN2C[C@H]3[C@H](N)CS(=O)(=O)[C@H]3C2)cs1
InChIInChI=1S/C12H19N3O2S2/c1-8-14-9(6-18-8)2-3-15-4-10-11(13)7-19(16,17)12(10)5-15/h6,10-12H,2-5,7,13H2,1H3/t10-,11+,12-/m0/s1
InChIKeyNOYNUNIBWKRSED-TUAOUCFPSA-N
XLogP0.05
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106033345
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106039600
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843
N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 106042299
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide
CID 130905513
2-methyl-4-[2-[3-(2-methylpropyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 106043488
4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043577
4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole
CID 100903513
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The IUPAC name of (3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine (CID 171916366) is (3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine.
What is the SMILES notation for (3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The canonical SMILES for (3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine is Cc1nc(CCN2C[C@H]3[C@H](N)CS(=O)(=O)[C@H]3C2)cs1.
What is the InChIKey of (3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
The InChIKey is NOYNUNIBWKRSED-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-8-14-9(6-18-8)2-3-15-4-10-11(13)7-19(16,17)12(10)5-15/h6,10-12H,2-5,7,13H2,1H3/t10-,11+,12-/m0/s1.
What are the key properties of (3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine?
(3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine has a molecular weight of 301.44 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6aR)-5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine is sourced from PubChem (CID 171916366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).