N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

C13H20N4S — CID 105154961

IUPACN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C(C)C)n1)c1scnc1C
InChIInChI=1S/C13H20N4S/c1-9(2)17-6-5-11(16-17)7-12(14-4)13-10(3)15-8-18-13/h5-6,8-9,12,14H,7H2,1-4H3
InChIKeyBXUGGVVGSUJQFU-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.73
Rot. Bonds5

About N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 105154961) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID105154961
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCNC(Cc1ccn(C(C)C)n1)c1scnc1C
InChIInChI=1S/C13H20N4S/c1-9(2)17-6-5-11(16-17)7-12(14-4)13-10(3)15-8-18-13/h5-6,8-9,12,14H,7H2,1-4H3
InChIKeyBXUGGVVGSUJQFU-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154905
N-methyl-2-(1-propan-2-ylpyrazol-3-yl)-1-pyrimidin-2-ylethanamine
CID 64770856
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200899
1-(4-bromophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771366
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79712344
1-(2,6-difluorophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79522561
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105161053
N,N-dimethyl-4-[1-(methylamino)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]aniline
CID 105154928
N-methyl-2-(1-methylindazol-3-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105161454
1-(2-bromo-4-methylphenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990061
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 102951244
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 114886218

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 105154961) is N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CNC(Cc1ccn(C(C)C)n1)c1scnc1C.
What is the InChIKey of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is BXUGGVVGSUJQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-9(2)17-6-5-11(16-17)7-12(14-4)13-10(3)15-8-18-13/h5-6,8-9,12,14H,7H2,1-4H3.
What are the key properties of N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105154961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).