5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

C9H13N5OS — CID 106960958

IUPAC5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1csc(CCNc2nnc(CN)o2)n1
InChIInChI=1S/C9H13N5OS/c1-6-5-16-8(12-6)2-3-11-9-14-13-7(4-10)15-9/h5H,2-4,10H2,1H3,(H,11,14)
InChIKeyUHYNSDSKZUQGFW-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.95
Rot. Bonds5

About 5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960958) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960958
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1csc(CCNc2nnc(CN)o2)n1
InChIInChI=1S/C9H13N5OS/c1-6-5-16-8(12-6)2-3-11-9-14-13-7(4-10)15-9/h5H,2-4,10H2,1H3,(H,11,14)
InChIKeyUHYNSDSKZUQGFW-UHFFFAOYSA-N
XLogP0.95
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-methoxyethylamino)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960965
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
1,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571807
5-(2-aminoethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961342
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-5-amine
CID 82538991
2,4,6-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82121506
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylimidazol-2-amine
CID 106571805
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811
3,3-dimethyl-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butane-1,2-diamine
CID 112555997
5-(ethylaminomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961014
5-(2-aminoethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106425031
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 78929804

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106960958) is 5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is Cc1csc(CCNc2nnc(CN)o2)n1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is UHYNSDSKZUQGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-6-5-16-8(12-6)2-3-11-9-14-13-7(4-10)15-9/h5H,2-4,10H2,1H3,(H,11,14).
What are the key properties of 5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 239.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).