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

C12H17N3S2 — CID 82438223

IUPAC4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2scnc2C(C)(C)C)cs1
InChIInChI=1S/C12H17N3S2/c1-5-13-11-15-8(6-16-11)9-10(12(2,3)4)14-7-17-9/h6-7H,5H2,1-4H3,(H,13,15)
InChIKeyKWXOKUQYOJXCPZ-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.00
Rot. Bonds3

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

4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 82438223) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID82438223
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2scnc2C(C)(C)C)cs1
InChIInChI=1S/C12H17N3S2/c1-5-13-11-15-8(6-16-11)9-10(12(2,3)4)14-7-17-9/h6-7H,5H2,1-4H3,(H,13,15)
InChIKeyKWXOKUQYOJXCPZ-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82438221
4-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82438376
4-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine
CID 82436989
N-butyl-4-(4-tert-butyl-2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82438277
N-ethyl-4-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433569
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-2-methyl-1,3-thiazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82438273
N-ethyl-4-(5-methylthiophen-3-yl)-1,3-thiazol-2-amine
CID 131181990
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
N-ethyl-4-(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433869
N-ethyl-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 55153988
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine (CID 82438223) is 4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine is CCNc1nc(-c2scnc2C(C)(C)C)cs1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is KWXOKUQYOJXCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-5-13-11-15-8(6-16-11)9-10(12(2,3)4)14-7-17-9/h6-7H,5H2,1-4H3,(H,13,15).
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine?
4-(4-tert-butyl-1,3-thiazol-5-yl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 4.00, 3 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)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82438223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).