(3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide

C14H20N4O2S — CID 97365029

IUPAC(3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESCc1nnc(N2C[C@H](C(=O)NC3CC3)[C@@H]3CCO[C@@H]3C2)s1
InChIInChI=1S/C14H20N4O2S/c1-8-16-17-14(21-8)18-6-11(13(19)15-9-2-3-9)10-4-5-20-12(10)7-18/h9-12H,2-7H2,1H3,(H,15,19)/t10-,11-,12+/m0/s1
InChIKeyVGZCGKXECRWILK-SDDRHHMPSA-N
MW308.41 g/mol
LogP0.97
Rot. Bonds3

About (3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide

(3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (PubChem CID 97365029) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is (3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
PubChem CID97365029
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name(3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
SMILESCc1nnc(N2C[C@H](C(=O)NC3CC3)[C@@H]3CCO[C@@H]3C2)s1
InChIInChI=1S/C14H20N4O2S/c1-8-16-17-14(21-8)18-6-11(13(19)15-9-2-3-9)10-4-5-20-12(10)7-18/h9-12H,2-7H2,1H3,(H,15,19)/t10-,11-,12+/m0/s1
InChIKeyVGZCGKXECRWILK-SDDRHHMPSA-N
XLogP0.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3aR,4S,7aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 124797865
(2S,3aS,7aS)-N-cyclopentyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366734
(3aS,4R,7aS)-N-cyclobutyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97365019
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335296
2-[(3S,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-pyrazin-2-ylacetamide
CID 97482717
2-[(3R,3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-pyrazin-2-ylacetamide
CID 124807975
N-[[(3S,3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide
CID 124806228
2-[(3S,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 97485898
(3aS,4R,7aS)-N-cyclobutyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155824012
2-[(3S,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-pyridin-3-ylacetamide
CID 97477952
N-[[(3R,3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 124812310
N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 108780898

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of (3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide (CID 97365029) is (3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for (3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for (3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is Cc1nnc(N2C[C@H](C(=O)NC3CC3)[C@@H]3CCO[C@@H]3C2)s1.
What is the InChIKey of (3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
The InChIKey is VGZCGKXECRWILK-SDDRHHMPSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-8-16-17-14(21-8)18-6-11(13(19)15-9-2-3-9)10-4-5-20-12(10)7-18/h9-12H,2-7H2,1H3,(H,15,19)/t10-,11-,12+/m0/s1.
What are the key properties of (3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide?
(3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,7aS)-N-cyclopropyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 97365029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).