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

C14H22N4S — CID 91839440

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1cc(C)n(CCN(C)CCc2csc(C)n2)n1
InChIInChI=1S/C14H22N4S/c1-11-9-12(2)18(16-11)8-7-17(4)6-5-14-10-19-13(3)15-14/h9-10H,5-8H2,1-4H3
InChIKeyNNEULQHALRZNPL-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.44
Rot. Bonds6

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

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 91839440) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID91839440
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1cc(C)n(CCN(C)CCc2csc(C)n2)n1
InChIInChI=1S/C14H22N4S/c1-11-9-12(2)18(16-11)8-7-17(4)6-5-14-10-19-13(3)15-14/h9-10H,5-8H2,1-4H3
InChIKeyNNEULQHALRZNPL-UHFFFAOYSA-N
XLogP2.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45827587
1-[3-(3,5-Dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084055
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)morpholine
CID 53555317
4-[[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 53626925
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779489
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779791
4-[[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 56780360
2-({4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1-piperazinyl}methyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine dihydrochloride
CID 56885364
N-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 56914096
2-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-tert-butyl-1,3-thiazole
CID 2820323
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 45804051
3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 71938465

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 91839440) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1cc(C)n(CCN(C)CCc2csc(C)n2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is NNEULQHALRZNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-11-9-12(2)18(16-11)8-7-17(4)6-5-14-10-19-13(3)15-14/h9-10H,5-8H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 278.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 91839440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).