1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

C11H16N4S — CID 115762272

IUPAC1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCn1nccc1CNCc1cnc(C)s1
InChIInChI=1S/C11H16N4S/c1-3-15-10(4-5-14-15)6-12-7-11-8-13-9(2)16-11/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyBOKCLSCQLKTDQA-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.96
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 115762272) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID115762272
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCCn1nccc1CNCc1cnc(C)s1
InChIInChI=1S/C11H16N4S/c1-3-15-10(4-5-14-15)6-12-7-11-8-13-9(2)16-11/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyBOKCLSCQLKTDQA-UHFFFAOYSA-N
XLogP1.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylpyrazol-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589102
N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 115761620
1-(2-ethylpyrazol-3-yl)-N-[(5-fluorothiophen-2-yl)methyl]methanamine;hydrochloride
CID 126963998
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66413345
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 122169168
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 63302222
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60777845
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
N,N-diethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61282763

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 115762272) is 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is CCn1nccc1CNCc1cnc(C)s1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is BOKCLSCQLKTDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-15-10(4-5-14-15)6-12-7-11-8-13-9(2)16-11/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 236.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 115762272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).