1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine

C12H18N4S — CID 82542015

IUPAC1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2c(C)nn(C)c2C)c(C(C)N)s1
InChIInChI=1S/C12H18N4S/c1-6(13)12-11(14-9(4)17-12)10-7(2)15-16(5)8(10)3/h6H,13H2,1-5H3
InChIKeyBGBGDUAVJHPVGA-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.49
Rot. Bonds2

About 1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine

1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82542015) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82542015
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(-c2c(C)nn(C)c2C)c(C(C)N)s1
InChIInChI=1S/C12H18N4S/c1-6(13)12-11(14-9(4)17-12)10-7(2)15-16(5)8(10)3/h6H,13H2,1-5H3
InChIKeyBGBGDUAVJHPVGA-UHFFFAOYSA-N
XLogP2.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 82106915
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 19805509
1-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82542174
1-[4-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-yl]ethanamine
CID 82541967
4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol
CID 82542124
1-(1,4,5-trimethylpyrazol-3-yl)ethanamine
CID 82595274
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-propan-2-yl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 62941260
1-pentan-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-4-amine
CID 83217307
4-(3,5-dimethylthiophen-2-yl)-1,3,5-trimethylpyrazole
CID 58458804
[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]methanamine
CID 61280679
1-(1,3-dimethylpyrazol-4-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 65197277

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine (CID 82542015) is 1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(-c2c(C)nn(C)c2C)c(C(C)N)s1.
What is the InChIKey of 1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is BGBGDUAVJHPVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-6(13)12-11(14-9(4)17-12)10-7(2)15-16(5)8(10)3/h6H,13H2,1-5H3.
What are the key properties of 1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82542015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).