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

C14H11ClN2S2 — CID 168581774

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline
SMILESClc1ncc(CNc2ccccc2-c2ccsc2)s1
InChIInChI=1S/C14H11ClN2S2/c15-14-17-8-11(19-14)7-16-13-4-2-1-3-12(13)10-5-6-18-9-10/h1-6,8-9,16H,7H2
InChIKeyPUWNZQNVTBPBDX-UHFFFAOYSA-N
MW306.84 g/mol
LogP5.14
Rot. Bonds4

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline (PubChem CID 168581774) has the molecular formula C14H11ClN2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline
PubChem CID168581774
Molecular FormulaC14H11ClN2S2
Molecular Weight306.84 g/mol
Exact Mass306.01
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline
SMILESClc1ncc(CNc2ccccc2-c2ccsc2)s1
InChIInChI=1S/C14H11ClN2S2/c15-14-17-8-11(19-14)7-16-13-4-2-1-3-12(13)10-5-6-18-9-10/h1-6,8-9,16H,7H2
InChIKeyPUWNZQNVTBPBDX-UHFFFAOYSA-N
XLogP5.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.84
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)aniline
CID 168583670
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
CID 168582764
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline
CID 60982356
2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol
CID 168583358
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-phenylaniline
CID 168582121
6-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-3-propylsulfanyl-4H-1,2,4-triazin-5-one
CID 168579777
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-2,2,2-trifluoroethanone
CID 168580944
N-[(2-chloro-1,3-thiazol-5-yl)methyl]acridin-4-amine
CID 168580256
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one
CID 168582484
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline
CID 104921590
8-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methyl-1,4-benzoxazin-3-one
CID 168583782
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-cyclohexyloxyaniline
CID 168583349

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline (CID 168581774) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline is Clc1ncc(CNc2ccccc2-c2ccsc2)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline?
The InChIKey is PUWNZQNVTBPBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S2/c15-14-17-8-11(19-14)7-16-13-4-2-1-3-12(13)10-5-6-18-9-10/h1-6,8-9,16H,7H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-thiophen-3-ylaniline has a molecular weight of 306.84 g/mol, XLogP of 5.14, 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]-2-thiophen-3-ylaniline is sourced from PubChem (CID 168581774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).