N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine

C11H15N3S2 — CID 107648403

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCc1ccc(C(C)Nc2nnc(C)s2)s1
InChIInChI=1S/C11H15N3S2/c1-4-9-5-6-10(16-9)7(2)12-11-14-13-8(3)15-11/h5-7H,4H2,1-3H3,(H,12,14)
InChIKeyPYHNXISITITSEY-UHFFFAOYSA-N
MW253.40 g/mol
LogP3.64
Rot. Bonds4

About N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648403) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID107648403
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCc1ccc(C(C)Nc2nnc(C)s2)s1
InChIInChI=1S/C11H15N3S2/c1-4-9-5-6-10(16-9)7(2)12-11-14-13-8(3)15-11/h5-7H,4H2,1-3H3,(H,12,14)
InChIKeyPYHNXISITITSEY-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~-[(Thiophen-2-Yl)methyl]-1,3,4-Thiadiazole-2,5-Diamine
CID 6917216
N-[(5-methylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113353607
N-[(5-ethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113431225
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586077
N-(1-thiophen-2-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586972
N-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448115
N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448118
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448224
N-(1-thiophen-2-ylpropan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448238
N-[1-(5-methylthiophen-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448356
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448598
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448623

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 107648403) is N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is CCc1ccc(C(C)Nc2nnc(C)s2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PYHNXISITITSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-4-9-5-6-10(16-9)7(2)12-11-14-13-8(3)15-11/h5-7H,4H2,1-3H3,(H,12,14).
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 253.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).