2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine

C9H12N4S — CID 82878134

IUPAC2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine
SMILESCn1ccc(CC(N)c2cncs2)n1
InChIInChI=1S/C9H12N4S/c1-13-3-2-7(12-13)4-8(10)9-5-11-6-14-9/h2-3,5-6,8H,4,10H2,1H3
InChIKeyMLZGFMVUJULODA-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.12
Rot. Bonds3

About 2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine

2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 82878134) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID82878134
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine
SMILESCn1ccc(CC(N)c2cncs2)n1
InChIInChI=1S/C9H12N4S/c1-13-3-2-7(12-13)4-8(10)9-5-11-6-14-9/h2-3,5-6,8H,4,10H2,1H3
InChIKeyMLZGFMVUJULODA-UHFFFAOYSA-N
XLogP1.12
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923732
2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105175038
1-(3-chlorothiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025612
1-(1,3-thiazol-5-yl)propan-1-amine
CID 67336934
2-(1-methylpyrazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127963
1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876697
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312218
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
1-(2-bromo-3,4-difluorophenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107538743
[2-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105329598

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine (CID 82878134) is 2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine is Cn1ccc(CC(N)c2cncs2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is MLZGFMVUJULODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-13-3-2-7(12-13)4-8(10)9-5-11-6-14-9/h2-3,5-6,8H,4,10H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine?
2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 208.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 82878134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).