(3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

C15H23N3O2S — CID 98897404

IUPAC(3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCc1csc(CN2C[C@H](C(=O)NC(C)C)[C@H]3OCC[C@H]32)n1
InChIInChI=1S/C15H23N3O2S/c1-9(2)16-15(19)11-6-18(12-4-5-20-14(11)12)7-13-17-10(3)8-21-13/h8-9,11-12,14H,4-7H2,1-3H3,(H,16,19)/t11-,12+,14+/m0/s1
InChIKeyNLEDECMYANMELS-OUCADQQQSA-N
MW309.44 g/mol
LogP1.57
Rot. Bonds4

About (3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

(3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (PubChem CID 98897404) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
PubChem CID98897404
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCc1csc(CN2C[C@H](C(=O)NC(C)C)[C@H]3OCC[C@H]32)n1
InChIInChI=1S/C15H23N3O2S/c1-9(2)16-15(19)11-6-18(12-4-5-20-14(11)12)7-13-17-10(3)8-21-13/h8-9,11-12,14H,4-7H2,1-3H3,(H,16,19)/t11-,12+,14+/m0/s1
InChIKeyNLEDECMYANMELS-OUCADQQQSA-N
XLogP1.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The IUPAC name of (3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (CID 98897404) is (3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.
What is the SMILES notation for (3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The canonical SMILES for (3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is Cc1csc(CN2C[C@H](C(=O)NC(C)C)[C@H]3OCC[C@H]32)n1.
What is the InChIKey of (3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The InChIKey is NLEDECMYANMELS-OUCADQQQSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9(2)16-15(19)11-6-18(12-4-5-20-14(11)12)7-13-17-10(3)8-21-13/h8-9,11-12,14H,4-7H2,1-3H3,(H,16,19)/t11-,12+,14+/m0/s1.
What are the key properties of (3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
(3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is sourced from PubChem (CID 98897404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).