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

C15H23N3S2 — CID 82438376

IUPAC4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2sc(C(C)C)nc2C(C)(C)C)cs1
InChIInChI=1S/C15H23N3S2/c1-7-16-14-17-10(8-19-14)11-12(15(4,5)6)18-13(20-11)9(2)3/h8-9H,7H2,1-6H3,(H,16,17)
InChIKeySDFJKEDVBDJGBH-UHFFFAOYSA-N
MW309.50 g/mol
LogP5.12
Rot. Bonds4

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

4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 82438376) has the molecular formula C15H23N3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID82438376
Molecular FormulaC15H23N3S2
Molecular Weight309.50 g/mol
Exact Mass309.13
IUPAC Name4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2sc(C(C)C)nc2C(C)(C)C)cs1
InChIInChI=1S/C15H23N3S2/c1-7-16-14-17-10(8-19-14)11-12(15(4,5)6)18-13(20-11)9(2)3/h8-9H,7H2,1-6H3,(H,16,17)
InChIKeySDFJKEDVBDJGBH-UHFFFAOYSA-N
XLogP5.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-ethyl-4-(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82431379
4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438223
N-ethyl-4-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433569
4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82438275
N-butan-2-yl-4-(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82428283
N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82438277
N-ethyl-4-(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433869
4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82435996
4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82438273
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82436989
4-[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82439363

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine (CID 82438376) is 4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine is CCNc1nc(-c2sc(C(C)C)nc2C(C)(C)C)cs1.
What is the InChIKey of 4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is SDFJKEDVBDJGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S2/c1-7-16-14-17-10(8-19-14)11-12(15(4,5)6)18-13(20-11)9(2)3/h8-9H,7H2,1-6H3,(H,16,17).
What are the key properties of 4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine?
4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 309.50 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82438376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).