4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

C12H17N3S2 — CID 82429533

IUPAC4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCc1nc(CC(C)C)sc1-c1csc(N)n1
InChIInChI=1S/C12H17N3S2/c1-4-8-11(9-6-16-12(13)15-9)17-10(14-8)5-7(2)3/h6-7H,4-5H2,1-3H3,(H2,13,15)
InChIKeyGEFKXIJATARJSL-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.61
Rot. Bonds4

About 4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 82429533) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID82429533
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCc1nc(CC(C)C)sc1-c1csc(N)n1
InChIInChI=1S/C12H17N3S2/c1-4-8-11(9-6-16-12(13)15-9)17-10(14-8)5-7(2)3/h6-7H,4-5H2,1-3H3,(H2,13,15)
InChIKeyGEFKXIJATARJSL-UHFFFAOYSA-N
XLogP3.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429231
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82429537
4-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433618
4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82432860
ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole
CID 143926152
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82426558
N-methyl-4-[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82434613
ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 142312130
4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82432354
4-[2-(diethylaminomethyl)-4-ethyl-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82430456
4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82432278
4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82441496

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (CID 82429533) is 4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is CCc1nc(CC(C)C)sc1-c1csc(N)n1.
What is the InChIKey of 4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is GEFKXIJATARJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-4-8-11(9-6-16-12(13)15-9)17-10(14-8)5-7(2)3/h6-7H,4-5H2,1-3H3,(H2,13,15).
What are the key properties of 4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82429533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).