5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine

C11H16N4S2 — CID 84597654

IUPAC5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1csc(CNc2nnc(C(C)(C)C)s2)n1
InChIInChI=1S/C11H16N4S2/c1-7-6-16-8(13-7)5-12-10-15-14-9(17-10)11(2,3)4/h6H,5H2,1-4H3,(H,12,15)
InChIKeyOYPXHINCELXHPK-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.21
Rot. Bonds3

About 5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine

5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 84597654) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID84597654
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1csc(CNc2nnc(C(C)(C)C)s2)n1
InChIInChI=1S/C11H16N4S2/c1-7-6-16-8(13-7)5-12-10-15-14-9(17-10)11(2,3)4/h6H,5H2,1-4H3,(H,12,15)
InChIKeyOYPXHINCELXHPK-UHFFFAOYSA-N
XLogP3.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62963186
5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 130670306
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 114448176
5-tert-butyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 154771700
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 80964799
2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 60706687
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115592117
3,5-difluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 63185095
5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine
CID 106549584
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 103698488

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 84597654) is 5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1csc(CNc2nnc(C(C)(C)C)s2)n1.
What is the InChIKey of 5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OYPXHINCELXHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-7-6-16-8(13-7)5-12-10-15-14-9(17-10)11(2,3)4/h6H,5H2,1-4H3,(H,12,15).
What are the key properties of 5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 84597654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).