N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine

C10H14N4S — CID 61332232

IUPACN-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1nccs1
InChIInChI=1S/C10H14N4S/c1-3-11-9(10-12-4-5-15-10)8-6-13-14(2)7-8/h4-7,9,11H,3H2,1-2H3
InChIKeyJHWXQDHXWJITFR-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.58
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine

N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 61332232) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID61332232
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1nccs1
InChIInChI=1S/C10H14N4S/c1-3-11-9(10-12-4-5-15-10)8-6-13-14(2)7-8/h4-7,9,11H,3H2,1-2H3
InChIKeyJHWXQDHXWJITFR-UHFFFAOYSA-N
XLogP1.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61332623
N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81153707
N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808897
N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 79979986
N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61329994
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492483
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 115808764
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-[(3,5-dibromo-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 113398631
N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 66135354
N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine
CID 105104643
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine (CID 61332232) is N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)c1nccs1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is JHWXQDHXWJITFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-3-11-9(10-12-4-5-15-10)8-6-13-14(2)7-8/h4-7,9,11H,3H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine?
N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 222.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61332232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).