2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine

C7H9N5OS — CID 106393181

IUPAC2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine
SMILESCc1nc(CNc2ncc(N)s2)no1
InChIInChI=1S/C7H9N5OS/c1-4-11-6(12-13-4)3-10-7-9-2-5(8)14-7/h2H,3,8H2,1H3,(H,9,10)
InChIKeyCOJFRWGCCBNEMC-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.03
Rot. Bonds3

About 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine

2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine (PubChem CID 106393181) has the molecular formula C7H9N5OS and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine
PubChem CID106393181
Molecular FormulaC7H9N5OS
Molecular Weight211.25 g/mol
Exact Mass211.05
IUPAC Name2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine
SMILESCc1nc(CNc2ncc(N)s2)no1
InChIInChI=1S/C7H9N5OS/c1-4-11-6(12-13-4)3-10-7-9-2-5(8)14-7/h2H,3,8H2,1H3,(H,9,10)
InChIKeyCOJFRWGCCBNEMC-UHFFFAOYSA-N
XLogP1.03
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-4,5-diamine
CID 106392946
4-methyl-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,3-diamine
CID 106393081
2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine
CID 114182998
4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746517
3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411585
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 106402539
6-ethyl-2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 106412380
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106411589
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114185482
3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 106402597
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497
6-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 103703166

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine (CID 106393181) is 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine is Cc1nc(CNc2ncc(N)s2)no1.
What is the InChIKey of 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine?
The InChIKey is COJFRWGCCBNEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5OS/c1-4-11-6(12-13-4)3-10-7-9-2-5(8)14-7/h2H,3,8H2,1H3,(H,9,10).
What are the key properties of 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine?
2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine has a molecular weight of 211.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 106393181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).