4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine

C14H20N4OS — CID 62209852

IUPAC4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(Cc1ccco1)C1CC1
InChIInChI=1S/C14H20N4OS/c1-2-7-15-14-13(16-17-20-14)10-18(11-5-6-11)9-12-4-3-8-19-12/h3-4,8,11,15H,2,5-7,9-10H2,1H3
InChIKeyCVFQYVMXTPAIRK-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.12
Rot. Bonds8

About 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62209852) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62209852
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(Cc1ccco1)C1CC1
InChIInChI=1S/C14H20N4OS/c1-2-7-15-14-13(16-17-20-14)10-18(11-5-6-11)9-12-4-3-8-19-12/h3-4,8,11,15H,2,5-7,9-10H2,1H3
InChIKeyCVFQYVMXTPAIRK-UHFFFAOYSA-N
XLogP3.12
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol
CID 62208996
N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62412040
4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine
CID 64522833
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
N-ethyl-4-(furan-2-ylmethoxymethyl)thiadiazol-5-amine
CID 62195798
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80789824
5-bromo-4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80790008
N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259205
N-cyclohexyl-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62573857
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80658148
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
CID 62208773
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 62413633

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine (CID 62209852) is 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(Cc1ccco1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is CVFQYVMXTPAIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-7-15-14-13(16-17-20-14)10-18(11-5-6-11)9-12-4-3-8-19-12/h3-4,8,11,15H,2,5-7,9-10H2,1H3.
What are the key properties of 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 292.41 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62209852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).