N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide

C17H25N3O2S — CID 97459984

IUPACN-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
SMILESCc1nc(CN2CC[C@H]3CO[C@H](CNC(=O)C4CC4)[C@H]3C2)cs1
InChIInChI=1S/C17H25N3O2S/c1-11-19-14(10-23-11)7-20-5-4-13-9-22-16(15(13)8-20)6-18-17(21)12-2-3-12/h10,12-13,15-16H,2-9H2,1H3,(H,18,21)/t13-,15-,16+/m0/s1
InChIKeyNAPKYZFNYHDCGS-CWRNSKLLSA-N
MW335.47 g/mol
LogP1.81
Rot. Bonds5

About N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide

N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 97459984) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID97459984
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
SMILESCc1nc(CN2CC[C@H]3CO[C@H](CNC(=O)C4CC4)[C@H]3C2)cs1
InChIInChI=1S/C17H25N3O2S/c1-11-19-14(10-23-11)7-20-5-4-13-9-22-16(15(13)8-20)6-18-17(21)12-2-3-12/h10,12-13,15-16H,2-9H2,1H3,(H,18,21)/t13-,15-,16+/m0/s1
InChIKeyNAPKYZFNYHDCGS-CWRNSKLLSA-N
XLogP1.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide (CID 97459984) is N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide is Cc1nc(CN2CC[C@H]3CO[C@H](CNC(=O)C4CC4)[C@H]3C2)cs1.
What is the InChIKey of N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is NAPKYZFNYHDCGS-CWRNSKLLSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11-19-14(10-23-11)7-20-5-4-13-9-22-16(15(13)8-20)6-18-17(21)12-2-3-12/h10,12-13,15-16H,2-9H2,1H3,(H,18,21)/t13-,15-,16+/m0/s1.
What are the key properties of N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide?
N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 335.47 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 97459984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).