N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline

C16H13ClN2S — CID 104921590

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline
SMILESClc1cnc(CNc2ccccc2-c2ccccc2)s1
InChIInChI=1S/C16H13ClN2S/c17-15-10-19-16(20-15)11-18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-10,18H,11H2
InChIKeyRAANBDHWXVUIPO-UHFFFAOYSA-N
MW300.81 g/mol
LogP5.08
Rot. Bonds4

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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline (PubChem CID 104921590) has the molecular formula C16H13ClN2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline
PubChem CID104921590
Molecular FormulaC16H13ClN2S
Molecular Weight300.81 g/mol
Exact Mass300.05
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline
SMILESClc1cnc(CNc2ccccc2-c2ccccc2)s1
InChIInChI=1S/C16H13ClN2S/c17-15-10-19-16(20-15)11-18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-10,18H,11H2
InChIKeyRAANBDHWXVUIPO-UHFFFAOYSA-N
XLogP5.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.81
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-1,3-thiazol-2-yl)methylamino]benzonitrile
CID 107123890
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline
CID 60982356
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylsulfonylaniline
CID 107123989
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine
CID 104878700
2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 104879443
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104879408
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
2-phenyl-N-[(2-phenylphenyl)methyl]aniline
CID 163203960
3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide
CID 104879474
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2,4-difluoroaniline
CID 104921572
2-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-fluoroaniline
CID 104921573
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline (CID 104921590) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline is Clc1cnc(CNc2ccccc2-c2ccccc2)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline?
The InChIKey is RAANBDHWXVUIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S/c17-15-10-19-16(20-15)11-18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-10,18H,11H2.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline has a molecular weight of 300.81 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline is sourced from PubChem (CID 104921590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).