(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C16H25N3O2S — CID 97362693

IUPAC(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NC(C)C)C1
InChIInChI=1S/C16H25N3O2S/c1-11(2)18-15(20)16-5-7-21-14(16)4-6-19(9-16)8-13-12(3)17-10-22-13/h10-11,14H,4-9H2,1-3H3,(H,18,20)/t14-,16-/m1/s1
InChIKeyCBQQJLBASCFMKM-GDBMZVCRSA-N
MW323.46 g/mol
LogP1.96
Rot. Bonds4

About (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362693) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97362693
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NC(C)C)C1
InChIInChI=1S/C16H25N3O2S/c1-11(2)18-15(20)16-5-7-21-14(16)4-6-19(9-16)8-13-12(3)17-10-22-13/h10-11,14H,4-9H2,1-3H3,(H,18,20)/t14-,16-/m1/s1
InChIKeyCBQQJLBASCFMKM-GDBMZVCRSA-N
XLogP1.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97362693) is (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NC(C)C)C1.
What is the InChIKey of (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is CBQQJLBASCFMKM-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-11(2)18-15(20)16-5-7-21-14(16)4-6-19(9-16)8-13-12(3)17-10-22-13/h10-11,14H,4-9H2,1-3H3,(H,18,20)/t14-,16-/m1/s1.
What are the key properties of (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97362693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).