(3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

C17H25N5O2S — CID 50951499

IUPAC(3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESO=C(CNC(=O)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2)Nc1nccs1
InChIInChI=1S/C17H25N5O2S/c23-14(21-16-19-5-6-25-16)8-20-15(24)17-10-18-7-12(17)9-22(11-17)13-3-1-2-4-13/h5-6,12-13,18H,1-4,7-11H2,(H,20,24)(H,19,21,23)/t12-,17-/m1/s1
InChIKeyPTFUMEKLKJBUNZ-SJKOYZFVSA-N
MW363.49 g/mol
LogP0.66
Rot. Bonds5

About (3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 50951499) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is (3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID50951499
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name(3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESO=C(CNC(=O)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2)Nc1nccs1
InChIInChI=1S/C17H25N5O2S/c23-14(21-16-19-5-6-25-16)8-20-15(24)17-10-18-7-12(17)9-22(11-17)13-3-1-2-4-13/h5-6,12-13,18H,1-4,7-11H2,(H,20,24)(H,19,21,23)/t12-,17-/m1/s1
InChIKeyPTFUMEKLKJBUNZ-SJKOYZFVSA-N
XLogP0.66
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Related Compounds

(3aR,6aR)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-5-cyclopentyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 72847059
(3aR,6aR)-5-cyclopentyl-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50954774
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201
3-piperidin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 62212222
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
2-[methyl(pyrrolidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63301676
4-(1,3-dithiolan-2-yl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 47776072
(3S)-3-methyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 129369013
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide
CID 40917187
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-3-carboxamide
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CID 17081286

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 50951499) is (3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is O=C(CNC(=O)[C@@]12CNC[C@@H]1CN(C1CCCC1)C2)Nc1nccs1.
What is the InChIKey of (3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is PTFUMEKLKJBUNZ-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H25N5O2S/c23-14(21-16-19-5-6-25-16)8-20-15(24)17-10-18-7-12(17)9-22(11-17)13-3-1-2-4-13/h5-6,12-13,18H,1-4,7-11H2,(H,20,24)(H,19,21,23)/t12-,17-/m1/s1.
What are the key properties of (3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-cyclopentyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 50951499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).