N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine

C6H6N4OS — CID 106403375

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine
SMILESc1csc(NCc2ncon2)n1
InChIInChI=1S/C6H6N4OS/c1-2-12-6(7-1)8-3-5-9-4-11-10-5/h1-2,4H,3H2,(H,7,8)
InChIKeyAMWOZNAHGCOKQU-UHFFFAOYSA-N
MW182.21 g/mol
LogP1.14
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine

N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 106403375) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID106403375
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine
SMILESc1csc(NCc2ncon2)n1
InChIInChI=1S/C6H6N4OS/c1-2-12-6(7-1)8-3-5-9-4-11-10-5/h1-2,4H,3H2,(H,7,8)
InChIKeyAMWOZNAHGCOKQU-UHFFFAOYSA-N
XLogP1.14
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 106885398
3-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazine-2,3-diamine
CID 106411526
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
N-[(4-chlorothiophen-2-yl)methyl]-1,3-thiazol-2-amine
CID 79427709
2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411915
N-[(3-methylfuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 115924599
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
CID 59694819
CID 59694819
3-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106403164
2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 130505496
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
2-(1,3-thiazol-2-ylamino)acetaldehyde
CID 76551851

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine (CID 106403375) is N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine is c1csc(NCc2ncon2)n1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is AMWOZNAHGCOKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c1-2-12-6(7-1)8-3-5-9-4-11-10-5/h1-2,4H,3H2,(H,7,8).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 182.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 106403375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).