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

C7H7BrN4OS — CID 107143525

IUPAC5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnc(CNc2nnc(Br)s2)o1
InChIInChI=1S/C7H7BrN4OS/c1-4-2-9-5(13-4)3-10-7-12-11-6(8)14-7/h2H,3H2,1H3,(H,10,12)
InChIKeyWRQXHCLAMIQGDN-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.21
Rot. Bonds3

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

5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107143525) has the molecular formula C7H7BrN4OS and a molecular weight of 275.13 g/mol. Its IUPAC name is 5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID107143525
Molecular FormulaC7H7BrN4OS
Molecular Weight275.13 g/mol
Exact Mass273.95
IUPAC Name5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnc(CNc2nnc(Br)s2)o1
InChIInChI=1S/C7H7BrN4OS/c1-4-2-9-5(13-4)3-10-7-12-11-6(8)14-7/h2H,3H2,1H3,(H,10,12)
InChIKeyWRQXHCLAMIQGDN-UHFFFAOYSA-N
XLogP2.21
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 131107697
5-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 114180965
3,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373954
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 106373712
3-tert-butyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 104952788
3-bromo-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2,5-diamine
CID 106369705
1-(5-bromothiophen-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275681
5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106375173
3-bromo-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 84587908
ethyl 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 106378348
3,5-dichloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373885
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 103275447

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 107143525) is 5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1cnc(CNc2nnc(Br)s2)o1.
What is the InChIKey of 5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WRQXHCLAMIQGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4OS/c1-4-2-9-5(13-4)3-10-7-12-11-6(8)14-7/h2H,3H2,1H3,(H,10,12).
What are the key properties of 5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 275.13 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107143525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).