N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline

C19H14ClN3S — CID 168581849

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline
SMILESClc1ncc(CNc2ccc(-c3cnc4ccccc4c3)cc2)s1
InChIInChI=1S/C19H14ClN3S/c20-19-23-12-17(24-19)11-21-16-7-5-13(6-8-16)15-9-14-3-1-2-4-18(14)22-10-15/h1-10,12,21H,11H2
InChIKeyPHILVKBFJTUTKR-UHFFFAOYSA-N
MW351.86 g/mol
LogP5.62
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline (PubChem CID 168581849) has the molecular formula C19H14ClN3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline
PubChem CID168581849
Molecular FormulaC19H14ClN3S
Molecular Weight351.86 g/mol
Exact Mass351.06
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline
SMILESClc1ncc(CNc2ccc(-c3cnc4ccccc4c3)cc2)s1
InChIInChI=1S/C19H14ClN3S/c20-19-23-12-17(24-19)11-21-16-7-5-13(6-8-16)15-9-14-3-1-2-4-18(14)22-10-15/h1-10,12,21H,11H2
InChIKeyPHILVKBFJTUTKR-UHFFFAOYSA-N
XLogP5.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.86
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenyl)aniline
CID 168582409
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-fluoroquinolin-6-amine
CID 168581212
N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine
CID 43691132
N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine
CID 168580256
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2-phenoxyethoxy)aniline
CID 168583829
1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 168581662
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 168579564
[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]boronic acid
CID 168583966
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
CID 168580395
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]aniline
CID 168581377
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-6-ethoxynaphthalen-2-amine
CID 168582544
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline (CID 168581849) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline is Clc1ncc(CNc2ccc(-c3cnc4ccccc4c3)cc2)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline?
The InChIKey is PHILVKBFJTUTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3S/c20-19-23-12-17(24-19)11-21-16-7-5-13(6-8-16)15-9-14-3-1-2-4-18(14)22-10-15/h1-10,12,21H,11H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline has a molecular weight of 351.86 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-quinolin-3-ylaniline is sourced from PubChem (CID 168581849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).