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

C15H19N3O2S — CID 94016909

IUPAC4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1
InChIInChI=1S/C15H19N3O2S/c1-4-12-14(21-17-16-12)15(19)18(3)8-10-5-6-13(20-10)11-7-9(11)2/h5-6,9,11H,4,7-8H2,1-3H3/t9-,11+/m0/s1
InChIKeyFDUSCMFRKAEFFL-GXSJLCMTSA-N
MW305.40 g/mol
LogP3.09
Rot. Bonds5

About 4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 94016909) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide
PubChem CID94016909
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1
InChIInChI=1S/C15H19N3O2S/c1-4-12-14(21-17-16-12)15(19)18(3)8-10-5-6-13(20-10)11-7-9(11)2/h5-6,9,11H,4,7-8H2,1-3H3/t9-,11+/m0/s1
InChIKeyFDUSCMFRKAEFFL-GXSJLCMTSA-N
XLogP3.09
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide (CID 94016909) is 4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1.
What is the InChIKey of 4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is FDUSCMFRKAEFFL-GXSJLCMTSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-12-14(21-17-16-12)15(19)18(3)8-10-5-6-13(20-10)11-7-9(11)2/h5-6,9,11H,4,7-8H2,1-3H3/t9-,11+/m0/s1.
What are the key properties of 4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 94016909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).