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

C11H16N4S — CID 63302222

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCCc1ncc(CNCc2ccnn2C)s1
InChIInChI=1S/C11H16N4S/c1-3-11-13-8-10(16-11)7-12-6-9-4-5-14-15(9)2/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyDQOMVHYAJPWOOA-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.73
Rot. Bonds5

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 63302222) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID63302222
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCCc1ncc(CNCc2ccnn2C)s1
InChIInChI=1S/C11H16N4S/c1-3-11-13-8-10(16-11)7-12-6-9-4-5-14-15(9)2/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyDQOMVHYAJPWOOA-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 104878601
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115702299
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
1-(2-ethylpyrazol-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 115762272
6-[[(2-methylpyrazol-3-yl)methylamino]methyl]pyridin-3-ol
CID 79794277
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 54883121
2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663111
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
N-(furan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)methanamine
CID 19626581
1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 115908958

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (CID 63302222) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is CCc1ncc(CNCc2ccnn2C)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is DQOMVHYAJPWOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-11-13-8-10(16-11)7-12-6-9-4-5-14-15(9)2/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 236.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 63302222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).