N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

C13H20N4S — CID 43752001

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NC(C)c2cnn(C)c2C)cs1
InChIInChI=1S/C13H20N4S/c1-8(12-6-14-17(5)10(12)3)15-9(2)13-7-18-11(4)16-13/h6-9,15H,1-5H3
InChIKeyXJAWTMPZIRQUTC-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.91
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 43752001) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID43752001
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NC(C)c2cnn(C)c2C)cs1
InChIInChI=1S/C13H20N4S/c1-8(12-6-14-17(5)10(12)3)15-9(2)13-7-18-11(4)16-13/h6-9,15H,1-5H3
InChIKeyXJAWTMPZIRQUTC-UHFFFAOYSA-N
XLogP2.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103851647
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
CID 43751933
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62090519
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43751841
1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94188210
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 43751923
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 43751968
(1R)-1-(2-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81396832
1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751951
1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751905
N-(dicyclopropylmethyl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 43751954

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 43752001) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NC(C)c2cnn(C)c2C)cs1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is XJAWTMPZIRQUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-8(12-6-14-17(5)10(12)3)15-9(2)13-7-18-11(4)16-13/h6-9,15H,1-5H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 43752001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).