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

C15H21N3S2 — CID 82436989

IUPAC4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2sc(C(C)(C)C)nc2C2CC2)cs1
InChIInChI=1S/C15H21N3S2/c1-5-16-14-17-10(8-19-14)12-11(9-6-7-9)18-13(20-12)15(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyXMQAUAHYFLKCEN-UHFFFAOYSA-N
MW307.49 g/mol
LogP4.87
Rot. Bonds4

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

4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 82436989) has the molecular formula C15H21N3S2 and a molecular weight of 307.49 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID82436989
Molecular FormulaC15H21N3S2
Molecular Weight307.49 g/mol
Exact Mass307.12
IUPAC Name4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2sc(C(C)(C)C)nc2C2CC2)cs1
InChIInChI=1S/C15H21N3S2/c1-5-16-14-17-10(8-19-14)12-11(9-6-7-9)18-13(20-12)15(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyXMQAUAHYFLKCEN-UHFFFAOYSA-N
XLogP4.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-(4-cyclopropyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82435996
N-butan-2-yl-4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82435926
4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438223
4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82432354
4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438376
N-ethyl-4-(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82431379
2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine
CID 62077368
(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol
CID 82436959
N-ethyl-4-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433569
1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine
CID 82436993
4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82432281
N-ethyl-4-(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433869

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine (CID 82436989) is 4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine is CCNc1nc(-c2sc(C(C)(C)C)nc2C2CC2)cs1.
What is the InChIKey of 4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is XMQAUAHYFLKCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2/c1-5-16-14-17-10(8-19-14)12-11(9-6-7-9)18-13(20-12)15(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine?
4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 307.49 g/mol, XLogP of 4.87, 4 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-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82436989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).