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

C12H18N4OS — CID 75498297

IUPAC5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ncsc1CNc1nnc(CC(C)(C)C)o1
InChIInChI=1S/C12H18N4OS/c1-8-9(18-7-14-8)6-13-11-16-15-10(17-11)5-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)
InChIKeyQEMKXUQHMSZSMS-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.04
Rot. Bonds4

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

5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 75498297) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID75498297
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ncsc1CNc1nnc(CC(C)(C)C)o1
InChIInChI=1S/C12H18N4OS/c1-8-9(18-7-14-8)6-13-11-16-15-10(17-11)5-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)
InChIKeyQEMKXUQHMSZSMS-UHFFFAOYSA-N
XLogP3.04
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
CID 75498291
N,2-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 164663998
3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 63283679
2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 63280474
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416
1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
CID 106572955
2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115653284
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 115654089
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373273
2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 65267138
5-(ethylaminomethyl)-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963515
5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid
CID 63283798

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 75498297) is 5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine is Cc1ncsc1CNc1nnc(CC(C)(C)C)o1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QEMKXUQHMSZSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-8-9(18-7-14-8)6-13-11-16-15-10(17-11)5-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 266.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75498297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).