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

C13H19N3S2 — CID 82432354

IUPAC4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCc1nc(C(C)(C)C)sc1-c1csc(N)n1
InChIInChI=1S/C13H19N3S2/c1-5-6-8-10(9-7-17-12(14)16-9)18-11(15-8)13(2,3)4/h7H,5-6H2,1-4H3,(H2,14,16)
InChIKeyIYDSYOKMLBYDNT-UHFFFAOYSA-N
MW281.45 g/mol
LogP4.10
Rot. Bonds3

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

4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82432354) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82432354
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC Name4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCCCc1nc(C(C)(C)C)sc1-c1csc(N)n1
InChIInChI=1S/C13H19N3S2/c1-5-6-8-10(9-7-17-12(14)16-9)18-11(15-8)13(2,3)4/h7H,5-6H2,1-4H3,(H2,14,16)
InChIKeyIYDSYOKMLBYDNT-UHFFFAOYSA-N
XLogP4.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82432278
4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82432860
4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82431731
2-tert-butyl-5-methyl-4-propyl-1,3-thiazole
CID 166828190
4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82436989
5-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82432361
4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429231
4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82431258
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429533
N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432329
4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82438221
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 82432354) is 4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is CCCc1nc(C(C)(C)C)sc1-c1csc(N)n1.
What is the InChIKey of 4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is IYDSYOKMLBYDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-5-6-8-10(9-7-17-12(14)16-9)18-11(15-8)13(2,3)4/h7H,5-6H2,1-4H3,(H2,14,16).
What are the key properties of 4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 281.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82432354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).