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

C7H8N4OS — CID 106393813

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine
SMILESc1nc(CNCc2cscn2)no1
InChIInChI=1S/C7H8N4OS/c1(6-3-13-5-10-6)8-2-7-9-4-12-11-7/h3-5,8H,1-2H2
InChIKeyRUZJELVQUPPHFD-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.82
Rot. Bonds4

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

N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 106393813) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine
PubChem CID106393813
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine
SMILESc1nc(CNCc2cscn2)no1
InChIInChI=1S/C7H8N4OS/c1(6-3-13-5-10-6)8-2-7-9-4-12-11-7/h3-5,8H,1-2H2
InChIKeyRUZJELVQUPPHFD-UHFFFAOYSA-N
XLogP0.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-4-ylmethanamine
CID 106392638
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
1-(6-bromo-2-pyridinyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392443
1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392584
1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61223186
2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106399000
N-ethyl-N-[4-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 106393105
N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 130621107
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
5-[(1,3-thiazol-4-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675768

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine (CID 106393813) is N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine is c1nc(CNCc2cscn2)no1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is RUZJELVQUPPHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1(6-3-13-5-10-6)8-2-7-9-4-12-11-7/h3-5,8H,1-2H2.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine?
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 196.24 g/mol, XLogP of 0.82, 4 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-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 106393813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).