4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C10H13N3S2 — CID 82438221

IUPAC4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ncsc1-c1csc(N)n1
InChIInChI=1S/C10H13N3S2/c1-10(2,3)8-7(15-5-12-8)6-4-14-9(11)13-6/h4-5H,1-3H3,(H2,11,13)
InChIKeyVNJDYDMIZQQZTR-UHFFFAOYSA-N
MW239.37 g/mol
LogP3.15
Rot. Bonds1

About 4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82438221) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82438221
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC Name4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1ncsc1-c1csc(N)n1
InChIInChI=1S/C10H13N3S2/c1-10(2,3)8-7(15-5-12-8)6-4-14-9(11)13-6/h4-5H,1-3H3,(H2,11,13)
InChIKeyVNJDYDMIZQQZTR-UHFFFAOYSA-N
XLogP3.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438223
4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82439666
4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82432354
4,5-ditert-butyl-1,3-thiazole
CID 58980037
5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 126477214
4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 3767969
1-(4-tert-butyl-1,3-thiazol-5-yl)ethanamine
CID 82438233
1-[5-(4-tert-butyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863141
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
6-(2-amino-1,3-thiazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 130568125
4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 82491191
4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 134819109

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 82438221) is 4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is CC(C)(C)c1ncsc1-c1csc(N)n1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is VNJDYDMIZQQZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-10(2,3)8-7(15-5-12-8)6-4-14-9(11)13-6/h4-5H,1-3H3,(H2,11,13).
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 239.37 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82438221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).