N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide

C15H17N3O2S — CID 95271429

IUPACN-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESC[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cnsn2)C2CC2)o1
InChIInChI=1S/C15H17N3O2S/c1-9-6-12(9)14-5-4-11(20-14)8-18(10-2-3-10)15(19)13-7-16-21-17-13/h4-5,7,9-10,12H,2-3,6,8H2,1H3/t9-,12+/m0/s1
InChIKeyQFWSMBSHEDNIAI-JOYOIKCWSA-N
MW303.39 g/mol
LogP3.06
Rot. Bonds5

About N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide

N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 95271429) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID95271429
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESC[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cnsn2)C2CC2)o1
InChIInChI=1S/C15H17N3O2S/c1-9-6-12(9)14-5-4-11(20-14)8-18(10-2-3-10)15(19)13-7-16-21-17-13/h4-5,7,9-10,12H,2-3,6,8H2,1H3/t9-,12+/m0/s1
InChIKeyQFWSMBSHEDNIAI-JOYOIKCWSA-N
XLogP3.06
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide (CID 95271429) is N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide is C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cnsn2)C2CC2)o1.
What is the InChIKey of N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is QFWSMBSHEDNIAI-JOYOIKCWSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-6-12(9)14-5-4-11(20-14)8-18(10-2-3-10)15(19)13-7-16-21-17-13/h4-5,7,9-10,12H,2-3,6,8H2,1H3/t9-,12+/m0/s1.
What are the key properties of N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide?
N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 95271429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).