N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

C14H18N4OS — CID 65278006

IUPACN-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCCOc1ccc(Nc2nc(C3CC3)ns2)cc1CN
InChIInChI=1S/C14H18N4OS/c1-2-19-12-6-5-11(7-10(12)8-15)16-14-17-13(18-20-14)9-3-4-9/h5-7,9H,2-4,8,15H2,1H3,(H,16,17,18)
InChIKeyYNNKORYSPOSEBO-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.02
Rot. Bonds6

About N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65278006) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65278006
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESCCOc1ccc(Nc2nc(C3CC3)ns2)cc1CN
InChIInChI=1S/C14H18N4OS/c1-2-19-12-6-5-11(7-10(12)8-15)16-14-17-13(18-20-14)9-3-4-9/h5-7,9H,2-4,8,15H2,1H3,(H,16,17,18)
InChIKeyYNNKORYSPOSEBO-UHFFFAOYSA-N
XLogP3.02
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(chloromethyl)-4-ethoxyphenyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65272748
N-[3-(aminomethyl)-4-ethoxyphenyl]-2,6-dimethylpyrimidin-4-amine
CID 63760596
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-methylpyridazin-3-amine
CID 106550771
3-cyclopropyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine
CID 133428381
N-[3-(aminomethyl)-4-ethoxyphenyl]-3,5-dichloropyridin-2-amine
CID 63760594
4-[3-(aminomethyl)-4-ethoxyanilino]-2-methyl-1H-pyrimidin-6-one
CID 137008443
3-[3-(aminomethyl)-4-ethoxyanilino]-1-methylpyrazin-2-one
CID 63759633
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-bromopyridin-4-amine
CID 104779539
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine
CID 103584223
3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine
CID 133429620
N-[3-(aminomethyl)-4-ethoxyphenyl]imidazo[1,2-a]pyridin-5-amine
CID 102627162

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65278006) is N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is CCOc1ccc(Nc2nc(C3CC3)ns2)cc1CN.
What is the InChIKey of N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is YNNKORYSPOSEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-19-12-6-5-11(7-10(12)8-15)16-14-17-13(18-20-14)9-3-4-9/h5-7,9H,2-4,8,15H2,1H3,(H,16,17,18).
What are the key properties of N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 290.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-ethoxyphenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65278006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).