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

C9H13N5S2 — CID 119043130

IUPACN-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2ccnn2C)s1
InChIInChI=1S/C9H13N5S2/c1-3-10-8-12-13-9(16-8)15-6-7-4-5-11-14(7)2/h4-5H,3,6H2,1-2H3,(H,10,12)
InChIKeyXQIKCZAVLTZECG-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.00
Rot. Bonds5

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

N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 119043130) has the molecular formula C9H13N5S2 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID119043130
Molecular FormulaC9H13N5S2
Molecular Weight255.37 g/mol
Exact Mass255.06
IUPAC NameN-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2ccnn2C)s1
InChIInChI=1S/C9H13N5S2/c1-3-10-8-12-13-9(16-8)15-6-7-4-5-11-14(7)2/h4-5H,3,6H2,1-2H3,(H,10,12)
InChIKeyXQIKCZAVLTZECG-UHFFFAOYSA-N
XLogP2.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 75505626
N-methyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608904
N-propyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608987
N-ethyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80609075
N-[[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80623368
N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methanamine
CID 80623707
N-[[5-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80624836
N-[(1-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104599692
N-[2-(2-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586455
5-(1,3-dimethyl-1H-pyrazol-4-yl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 5150737
N-[5-(1,3-Dimethyl-1H-pyrazol-4-YL)-1,3,4-thiadiazol-2-YL]-N-methylamine
CID 19575069
5-(5-Methylpyrazol-1-yl)-1,3,4-thiadiazol-2-amine
CID 171819215

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 119043130) is N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCc2ccnn2C)s1.
What is the InChIKey of N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XQIKCZAVLTZECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S2/c1-3-10-8-12-13-9(16-8)15-6-7-4-5-11-14(7)2/h4-5H,3,6H2,1-2H3,(H,10,12).
What are the key properties of N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 255.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2-methylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 119043130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).