N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride

C14H23ClN4OS — CID 120660844

IUPACN-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride
SMILESCCN(C(C)=O)c1nc(CN2C[C@H]3CNC[C@H]3C2)cs1.Cl
InChIInChI=1S/C14H22N4OS.ClH/c1-3-18(10(2)19)14-16-13(9-20-14)8-17-6-11-4-15-5-12(11)7-17;/h9,11-12,15H,3-8H2,1-2H3;1H/t11-,12+;
InChIKeyKHXKDZJIOIFKIW-IWKKHLOMSA-N
MW330.89 g/mol
LogP1.59
Rot. Bonds4

About N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride

N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride (PubChem CID 120660844) has the molecular formula C14H23ClN4OS and a molecular weight of 330.89 g/mol. Its IUPAC name is N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride
PubChem CID120660844
Molecular FormulaC14H23ClN4OS
Molecular Weight330.89 g/mol
Exact Mass330.13
IUPAC NameN-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride
SMILESCCN(C(C)=O)c1nc(CN2C[C@H]3CNC[C@H]3C2)cs1.Cl
InChIInChI=1S/C14H22N4OS.ClH/c1-3-18(10(2)19)14-16-13(9-20-14)8-17-6-11-4-15-5-12(11)7-17;/h9,11-12,15H,3-8H2,1-2H3;1H/t11-,12+;
InChIKeyKHXKDZJIOIFKIW-IWKKHLOMSA-N
XLogP1.59
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.89
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride?
The IUPAC name of N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride (CID 120660844) is N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride.
What is the SMILES notation for N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride?
The canonical SMILES for N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride is CCN(C(C)=O)c1nc(CN2C[C@H]3CNC[C@H]3C2)cs1.Cl.
What is the InChIKey of N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride?
The InChIKey is KHXKDZJIOIFKIW-IWKKHLOMSA-N. The full InChI is InChI=1S/C14H22N4OS.ClH/c1-3-18(10(2)19)14-16-13(9-20-14)8-17-6-11-4-15-5-12(11)7-17;/h9,11-12,15H,3-8H2,1-2H3;1H/t11-,12+;.
What are the key properties of N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride?
N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride has a molecular weight of 330.89 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride is sourced from PubChem (CID 120660844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).