N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline

C15H16N4S — CID 43745436

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1nc(C(C)Nc2cccc(-c3ccn[nH]3)c2)cs1
InChIInChI=1S/C15H16N4S/c1-10(15-9-20-11(2)18-15)17-13-5-3-4-12(8-13)14-6-7-16-19-14/h3-10,17H,1-2H3,(H,16,19)
InChIKeyVVIIQOQOJIZKES-UHFFFAOYSA-N
MW284.39 g/mol
LogP4.01
Rot. Bonds4

About N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 43745436) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID43745436
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1nc(C(C)Nc2cccc(-c3ccn[nH]3)c2)cs1
InChIInChI=1S/C15H16N4S/c1-10(15-9-20-11(2)18-15)17-13-5-3-4-12(8-13)14-6-7-16-19-14/h3-10,17H,1-2H3,(H,16,19)
InChIKeyVVIIQOQOJIZKES-UHFFFAOYSA-N
XLogP4.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylthiophen-2-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 63991077
N-[1-(2-methylphenyl)ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745402
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1,3,4-oxadiazol-2-yl)aniline
CID 43670240
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalen-2-amine
CID 43680346
2-methyl-4-[1-[3-(sulfamoylamino)anilino]ethyl]-1,3-thiazole
CID 43742065
methyl 3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoate
CID 43670294
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859
N-heptan-2-yl-3-(1H-pyrazol-5-yl)aniline
CID 43745296
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline (CID 43745436) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline is Cc1nc(C(C)Nc2cccc(-c3ccn[nH]3)c2)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is VVIIQOQOJIZKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10(15-9-20-11(2)18-15)17-13-5-3-4-12(8-13)14-6-7-16-19-14/h3-10,17H,1-2H3,(H,16,19).
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 284.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 43745436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).