N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine

C13H20N4S — CID 112549603

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)cc1CNCc1nc(C)c(C)s1
InChIInChI=1S/C13H20N4S/c1-5-12-11(8-17(4)16-12)6-14-7-13-15-9(2)10(3)18-13/h8,14H,5-7H2,1-4H3
InChIKeyVFRSWFCTHOYCRQ-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.35
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine (PubChem CID 112549603) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
PubChem CID112549603
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)cc1CNCc1nc(C)c(C)s1
InChIInChI=1S/C13H20N4S/c1-5-12-11(8-17(4)16-12)6-14-7-13-15-9(2)10(3)18-13/h8,14H,5-7H2,1-4H3
InChIKeyVFRSWFCTHOYCRQ-UHFFFAOYSA-N
XLogP2.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 112549507
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-iodophenyl)methanamine
CID 112668872
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112549267
1-(2,3-dimethylphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 112550132
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115989281
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 115989668
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 112549095
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol
CID 112550131
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(5-methyl-3-pyridinyl)methanamine
CID 103894058
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113347984
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine (CID 112549603) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine is CCc1nn(C)cc1CNCc1nc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The InChIKey is VFRSWFCTHOYCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-5-12-11(8-17(4)16-12)6-14-7-13-15-9(2)10(3)18-13/h8,14H,5-7H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine has a molecular weight of 264.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 112549603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).