N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine

C14H16N4S2 — CID 171913031

IUPACN-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCN(CCn1cccn1)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C14H16N4S2/c1-17(7-8-18-6-3-5-15-18)10-12-11-20-14(16-12)13-4-2-9-19-13/h2-6,9,11H,7-8,10H2,1H3
InChIKeyVEGHLWZZVZXTGS-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.20
Rot. Bonds6

About N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine

N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 171913031) has the molecular formula C14H16N4S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID171913031
Molecular FormulaC14H16N4S2
Molecular Weight304.44 g/mol
Exact Mass304.08
IUPAC NameN-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCN(CCn1cccn1)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C14H16N4S2/c1-17(7-8-18-6-3-5-15-18)10-12-11-20-14(16-12)13-4-2-9-19-13/h2-6,9,11H,7-8,10H2,1H3
InChIKeyVEGHLWZZVZXTGS-UHFFFAOYSA-N
XLogP3.20
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanamine
CID 70748980
N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 70750792
1-ethyl-4-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrrole-2-carbonitrile
CID 70707566
N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 70782274
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166181462
N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 17418739
N,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
CID 70730335
N-ethyl-2-[ethyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51223958
N-ethyl-N-(3-hydroxypropyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 115771558
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 63929532
N-methyl-3-(1-methylpyrrol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70709279

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine (CID 171913031) is N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine is CN(CCn1cccn1)Cc1csc(-c2cccs2)n1.
What is the InChIKey of N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is VEGHLWZZVZXTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2/c1-17(7-8-18-6-3-5-15-18)10-12-11-20-14(16-12)13-4-2-9-19-13/h2-6,9,11H,7-8,10H2,1H3.
What are the key properties of N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 304.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrazol-1-yl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 171913031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).