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

C12H17N3S2 — CID 133412750

IUPACN-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCc1sc(C(C)Nc2nnc(C)s2)cc1C
InChIInChI=1S/C12H17N3S2/c1-5-10-7(2)6-11(17-10)8(3)13-12-15-14-9(4)16-12/h6,8H,5H2,1-4H3,(H,13,15)
InChIKeyHUYDATDZILVBKR-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.95
Rot. Bonds4

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

N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 133412750) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID133412750
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC NameN-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCCc1sc(C(C)Nc2nnc(C)s2)cc1C
InChIInChI=1S/C12H17N3S2/c1-5-10-7(2)6-11(17-10)8(3)13-12-15-14-9(4)16-12/h6,8H,5H2,1-4H3,(H,13,15)
InChIKeyHUYDATDZILVBKR-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-ethylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648403
2-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-1,3-thiazole-5-sulfonamide
CID 133412840
5-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648389
N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648217
1-(5-ethyl-4-methylthiophen-2-yl)ethanamine;hydrochloride
CID 71757020
5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 113240474
5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 18093759
6-[1-(5-ethyl-4-methylthiophen-2-yl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133412817
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 102809474
N-[1-(4-fluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982704
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982753

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 133412750) is N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is CCc1sc(C(C)Nc2nnc(C)s2)cc1C.
What is the InChIKey of N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HUYDATDZILVBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-5-10-7(2)6-11(17-10)8(3)13-12-15-14-9(4)16-12/h6,8H,5H2,1-4H3,(H,13,15).
What are the key properties of N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-4-methylthiophen-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133412750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).