N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine

C14H11ClN2OS2 — CID 15956104

IUPACN-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nccs2)cc1OCc1ccsc1
InChIInChI=1S/C14H11ClN2OS2/c15-12-2-1-11(17-14-16-4-6-20-14)7-13(12)18-8-10-3-5-19-9-10/h1-7,9H,8H2,(H,16,17)
InChIKeyHPPCLGIBLVSKCU-UHFFFAOYSA-N
MW322.84 g/mol
LogP5.18
Rot. Bonds5

About N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine

N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 15956104) has the molecular formula C14H11ClN2OS2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID15956104
Molecular FormulaC14H11ClN2OS2
Molecular Weight322.84 g/mol
Exact Mass322.00
IUPAC NameN-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nccs2)cc1OCc1ccsc1
InChIInChI=1S/C14H11ClN2OS2/c15-12-2-1-11(17-14-16-4-6-20-14)7-13(12)18-8-10-3-5-19-9-10/h1-7,9H,8H2,(H,16,17)
InChIKeyHPPCLGIBLVSKCU-UHFFFAOYSA-N
XLogP5.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.84
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine (CID 15956104) is N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine is Clc1ccc(Nc2nccs2)cc1OCc1ccsc1.
What is the InChIKey of N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is HPPCLGIBLVSKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS2/c15-12-2-1-11(17-14-16-4-6-20-14)7-13(12)18-8-10-3-5-19-9-10/h1-7,9H,8H2,(H,16,17).
What are the key properties of N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 322.84 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(thiophen-3-ylmethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15956104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).