(3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide

C16H21N5OS2 — CID 167930033

IUPAC(3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCc1ccsc1-c1nsc(NC(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)n1
InChIInChI=1S/C16H21N5OS2/c1-10-4-5-23-12(10)13-17-14(24-19-13)18-15(22)21-7-11-6-20(3)8-16(11,2)9-21/h4-5,11H,6-9H2,1-3H3,(H,17,18,19,22)/t11-,16+/m1/s1
InChIKeyNUUZNOVLYXZGBY-BZNIZROVSA-N
MW363.51 g/mol
LogP2.99
Rot. Bonds2

About (3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide

(3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 167930033) has the molecular formula C16H21N5OS2 and a molecular weight of 363.51 g/mol. Its IUPAC name is (3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID167930033
Molecular FormulaC16H21N5OS2
Molecular Weight363.51 g/mol
Exact Mass363.12
IUPAC Name(3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCc1ccsc1-c1nsc(NC(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)n1
InChIInChI=1S/C16H21N5OS2/c1-10-4-5-23-12(10)13-17-14(24-19-13)18-15(22)21-7-11-6-20(3)8-16(11,2)9-21/h4-5,11H,6-9H2,1-3H3,(H,17,18,19,22)/t11-,16+/m1/s1
InChIKeyNUUZNOVLYXZGBY-BZNIZROVSA-N
XLogP2.99
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of (3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide (CID 167930033) is (3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for (3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for (3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide is Cc1ccsc1-c1nsc(NC(=O)N2C[C@H]3CN(C)C[C@@]3(C)C2)n1.
What is the InChIKey of (3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is NUUZNOVLYXZGBY-BZNIZROVSA-N. The full InChI is InChI=1S/C16H21N5OS2/c1-10-4-5-23-12(10)13-17-14(24-19-13)18-15(22)21-7-11-6-20(3)8-16(11,2)9-21/h4-5,11H,6-9H2,1-3H3,(H,17,18,19,22)/t11-,16+/m1/s1.
What are the key properties of (3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
(3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2,3a-dimethyl-N-[3-(3-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 167930033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).