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

C15H16N4S — CID 43788715

IUPACN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
SMILESCc1ncsc1C(C)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H16N4S/c1-10-15(20-9-16-10)11(2)18-13-5-3-12(4-6-13)14-7-8-17-19-14/h3-9,11,18H,1-2H3,(H,17,19)
InChIKeyFIPAIACBGKSXHJ-UHFFFAOYSA-N
MW284.39 g/mol
LogP4.01
Rot. Bonds4

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

N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline (PubChem CID 43788715) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
PubChem CID43788715
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
SMILESCc1ncsc1C(C)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C15H16N4S/c1-10-15(20-9-16-10)11(2)18-13-5-3-12(4-6-13)14-7-8-17-19-14/h3-9,11,18H,1-2H3,(H,17,19)
InChIKeyFIPAIACBGKSXHJ-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

Phenyl-5-(1H-pyrazol-3-YL)-1,3-thiazole
CID 2763788
4-methyl-2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole
CID 1480004
4-(1H-indazol-5-yl)-2-methylthiazole
CID 25167076
(2S)-N-(3-(1H-pyrazol-3-yl)phenyl)-3-phenyl-2-(thiazol-4-ylmethylamino)propanamide
CID 67496810
4-[5-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]pyridine
CID 1482789
(2E)-3-(2H-indazol-6-ylamino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 1934348
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051
4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 45588555
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]-3-piperidinecarboxamide
CID 24817631
3-(4-methyl-1,3-thiazol-5-yl)-N-{[3-(1-naphthyl)-1H-pyrazol-4-yl]methyl}propan-1-amine
CID 16188192
N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1,3-thiazol-4-yl)ethanamine
CID 16191955
4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 46889102

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline (CID 43788715) is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline is Cc1ncsc1C(C)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline?
The InChIKey is FIPAIACBGKSXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10-15(20-9-16-10)11(2)18-13-5-3-12(4-6-13)14-7-8-17-19-14/h3-9,11,18H,1-2H3,(H,17,19).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline?
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(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-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 43788715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).