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

C15H16N4S — CID 60937882

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
SMILESCc1ncc(CNc2ccc(Cn3cccn3)cc2)s1
InChIInChI=1S/C15H16N4S/c1-12-16-9-15(20-12)10-17-14-5-3-13(4-6-14)11-19-8-2-7-18-19/h2-9,17H,10-11H2,1H3
InChIKeyQGMKJWPPBFEBHO-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.31
Rot. Bonds5

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline (PubChem CID 60937882) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
PubChem CID60937882
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
SMILESCc1ncc(CNc2ccc(Cn3cccn3)cc2)s1
InChIInChI=1S/C15H16N4S/c1-12-16-9-15(20-12)10-17-14-5-3-13(4-6-14)11-19-8-2-7-18-19/h2-9,17H,10-11H2,1H3
InChIKeyQGMKJWPPBFEBHO-UHFFFAOYSA-N
XLogP3.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171807
N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60942760
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86841729
N-[(2-chlorophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60942759
4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868716
4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168581843
[5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol
CID 64591413
N-[(5-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)aniline
CID 43738809
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 54868652
4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline (CID 60937882) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline is Cc1ncc(CNc2ccc(Cn3cccn3)cc2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline?
The InChIKey is QGMKJWPPBFEBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-12-16-9-15(20-12)10-17-14-5-3-13(4-6-14)11-19-8-2-7-18-19/h2-9,17H,10-11H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline has a molecular weight of 284.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 60937882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).