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

C15H24N4S — CID 43777057

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC(C)c2sc(C(C)(C)C)nc2C)cn1
InChIInChI=1S/C15H24N4S/c1-7-19-9-12(8-16-19)17-10(2)13-11(3)18-14(20-13)15(4,5)6/h8-10,17H,7H2,1-6H3
InChIKeyWMTPLXMECPTOGW-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.14
Rot. Bonds4

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

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine (PubChem CID 43777057) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine
PubChem CID43777057
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC(C)c2sc(C(C)(C)C)nc2C)cn1
InChIInChI=1S/C15H24N4S/c1-7-19-9-12(8-16-19)17-10(2)13-11(3)18-14(20-13)15(4,5)6/h8-10,17H,7H2,1-6H3
InChIKeyWMTPLXMECPTOGW-UHFFFAOYSA-N
XLogP4.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine (CID 43777057) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine is CCn1cc(NC(C)c2sc(C(C)(C)C)nc2C)cn1.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine?
The InChIKey is WMTPLXMECPTOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-7-19-9-12(8-16-19)17-10(2)13-11(3)18-14(20-13)15(4,5)6/h8-10,17H,7H2,1-6H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine has a molecular weight of 292.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethylpyrazol-4-amine is sourced from PubChem (CID 43777057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).