2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine

C12H18N4S — CID 62798450

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)Cc2csc(C)n2)cn1
InChIInChI=1S/C12H18N4S/c1-3-4-16-7-10(6-14-16)12(13)5-11-8-17-9(2)15-11/h6-8,12H,3-5,13H2,1-2H3
InChIKeyOFJITGRUKWJOHH-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.30
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine

2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 62798450) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine
PubChem CID62798450
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)Cc2csc(C)n2)cn1
InChIInChI=1S/C12H18N4S/c1-3-4-16-7-10(6-14-16)12(13)5-11-8-17-9(2)15-11/h6-8,12H,3-5,13H2,1-2H3
InChIKeyOFJITGRUKWJOHH-UHFFFAOYSA-N
XLogP2.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 62797754
1-(5-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997036
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516
2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65132226
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
2-(2-bromophenyl)-1-(1-propylpyrazol-4-yl)ethanamine
CID 62829496
2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65136012
3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 103024939
2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine
CID 105103681
(5-iodothiophen-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808279

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine (CID 62798450) is 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(N)Cc2csc(C)n2)cn1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is OFJITGRUKWJOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-4-16-7-10(6-14-16)12(13)5-11-8-17-9(2)15-11/h6-8,12H,3-5,13H2,1-2H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine?
2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 62798450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).