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

C13H20N4S — CID 113341585

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2csc(C(C)(C)C)n2)cn1
InChIInChI=1S/C13H20N4S/c1-5-17-8-10(7-15-17)14-6-11-9-18-12(16-11)13(2,3)4/h7-9,14H,5-6H2,1-4H3
InChIKeyCSRKWYUBFWIZFY-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.27
Rot. Bonds4

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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine (PubChem CID 113341585) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine
PubChem CID113341585
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NCc2csc(C(C)(C)C)n2)cn1
InChIInChI=1S/C13H20N4S/c1-5-17-8-10(7-15-17)14-6-11-9-18-12(16-11)13(2,3)4/h7-9,14H,5-6H2,1-4H3
InChIKeyCSRKWYUBFWIZFY-UHFFFAOYSA-N
XLogP3.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazol-4-amine
CID 78921412
N,1-diethylpyrazol-4-amine
CID 43543394
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 115703933
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 113243337
1-ethyl-N-(pyrimidin-4-ylmethyl)pyrazol-4-amine
CID 62760929
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3,4-difluoroaniline
CID 115694591
N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 115592184
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115777221
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115592018
2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol
CID 110928797

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine (CID 113341585) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine is CCn1cc(NCc2csc(C(C)(C)C)n2)cn1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine?
The InChIKey is CSRKWYUBFWIZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-5-17-8-10(7-15-17)14-6-11-9-18-12(16-11)13(2,3)4/h7-9,14H,5-6H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine has a molecular weight of 264.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethylpyrazol-4-amine is sourced from PubChem (CID 113341585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).