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

C14H22N4S — CID 105154905

IUPACN-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)c1scnc1C
InChIInChI=1S/C14H22N4S/c1-5-15-13(14-11(4)16-9-19-14)8-12-6-7-18(17-12)10(2)3/h6-7,9-10,13,15H,5,8H2,1-4H3
InChIKeyJNYWFBMVPUBZSC-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.12
Rot. Bonds6

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

N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (PubChem CID 105154905) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
PubChem CID105154905
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)c1scnc1C
InChIInChI=1S/C14H22N4S/c1-5-15-13(14-11(4)16-9-19-14)8-12-6-7-18(17-12)10(2)3/h6-7,9-10,13,15H,5,8H2,1-4H3
InChIKeyJNYWFBMVPUBZSC-UHFFFAOYSA-N
XLogP3.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154961
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107503911
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975696
N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 104990153
N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 82902628
N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990155
2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105136543
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64770867
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200131
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105125558
N-ethyl-4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771858
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)hex-4-yn-1-amine
CID 105181533

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine (CID 105154905) is N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C(C)C)n1)c1scnc1C.
What is the InChIKey of N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
The InChIKey is JNYWFBMVPUBZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-5-15-13(14-11(4)16-9-19-14)8-12-6-7-18(17-12)10(2)3/h6-7,9-10,13,15H,5,8H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine?
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine has a molecular weight of 278.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105154905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).