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

C14H22N4S — CID 43776724

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine
SMILESCc1nc(C(C)(C)C)sc1C(C)Nc1cnn(C)c1
InChIInChI=1S/C14H22N4S/c1-9(16-11-7-15-18(6)8-11)12-10(2)17-13(19-12)14(3,4)5/h7-9,16H,1-6H3
InChIKeyRINADBNUQYCURJ-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.66
Rot. Bonds3

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

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine (PubChem CID 43776724) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine
PubChem CID43776724
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine
SMILESCc1nc(C(C)(C)C)sc1C(C)Nc1cnn(C)c1
InChIInChI=1S/C14H22N4S/c1-9(16-11-7-15-18(6)8-11)12-10(2)17-13(19-12)14(3,4)5/h7-9,16H,1-6H3
InChIKeyRINADBNUQYCURJ-UHFFFAOYSA-N
XLogP3.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756145
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]phenol
CID 43790441
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768916
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloroaniline
CID 43762120
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylsulfanylaniline
CID 43781038
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3-chloro-5-fluoroaniline
CID 107363917
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 65192064
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpyridin-3-amine
CID 79041724
N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
CID 43776723
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
CID 61000192
1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
CID 155858284
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine (CID 43776724) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine is Cc1nc(C(C)(C)C)sc1C(C)Nc1cnn(C)c1.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine?
The InChIKey is RINADBNUQYCURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-9(16-11-7-15-18(6)8-11)12-10(2)17-13(19-12)14(3,4)5/h7-9,16H,1-6H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazol-4-amine has a molecular weight of 278.43 g/mol, XLogP of 3.66, 3 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-methylpyrazol-4-amine is sourced from PubChem (CID 43776724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).