4-tert-butyl-1,3-thiazole-2,5-diamine

C7H13N3S — CID 82342196

IUPAC4-tert-butyl-1,3-thiazole-2,5-diamine
SMILESCC(C)(C)c1nc(N)sc1N
InChIInChI=1S/C7H13N3S/c1-7(2,3)4-5(8)11-6(9)10-4/h8H2,1-3H3,(H2,9,10)
InChIKeyPGUJMCNMVWETKN-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.61
Rot. Bonds

About 4-tert-butyl-1,3-thiazole-2,5-diamine

4-tert-butyl-1,3-thiazole-2,5-diamine (PubChem CID 82342196) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 4-tert-butyl-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name4-tert-butyl-1,3-thiazole-2,5-diamine
PubChem CID82342196
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name4-tert-butyl-1,3-thiazole-2,5-diamine
SMILESCC(C)(C)c1nc(N)sc1N
InChIInChI=1S/C7H13N3S/c1-7(2,3)4-5(8)11-6(9)10-4/h8H2,1-3H3,(H2,9,10)
InChIKeyPGUJMCNMVWETKN-UHFFFAOYSA-N
XLogP1.61
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-ditert-butyl-1,3-thiazol-2-amine
CID 131164167
2,4-ditert-butyl-1,3-thiazol-5-amine
CID 62077197
5-bromo-4-tert-butyl-1,3-thiazol-2-amine
CID 729135
2-amino-4-(trifluoromethyl)-1,3-thiazole-5-thiol
CID 143136897
4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 107530840
4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 141216793
4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62066478
5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 107602467
4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 141228989
N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pentanamide
CID 82342366
5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 84783642
5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 114223006

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-thiazole-2,5-diamine?
The IUPAC name of 4-tert-butyl-1,3-thiazole-2,5-diamine (CID 82342196) is 4-tert-butyl-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 4-tert-butyl-1,3-thiazole-2,5-diamine?
The canonical SMILES for 4-tert-butyl-1,3-thiazole-2,5-diamine is CC(C)(C)c1nc(N)sc1N.
What is the InChIKey of 4-tert-butyl-1,3-thiazole-2,5-diamine?
The InChIKey is PGUJMCNMVWETKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-7(2,3)4-5(8)11-6(9)10-4/h8H2,1-3H3,(H2,9,10).
What are the key properties of 4-tert-butyl-1,3-thiazole-2,5-diamine?
4-tert-butyl-1,3-thiazole-2,5-diamine has a molecular weight of 171.27 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 82342196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).