N-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine

C14H13ClN2OS — CID 86645047

IUPACN-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nccs2)cc1OC1=CCCC1
InChIInChI=1S/C14H13ClN2OS/c15-12-6-5-10(17-14-16-7-8-19-14)9-13(12)18-11-3-1-2-4-11/h3,5-9H,1-2,4H2,(H,16,17)
InChIKeyORVFSMGWMYFRGP-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.99
Rot. Bonds4

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

N-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 86645047) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine
PubChem CID86645047
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC NameN-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nccs2)cc1OC1=CCCC1
InChIInChI=1S/C14H13ClN2OS/c15-12-6-5-10(17-14-16-7-8-19-14)9-13(12)18-11-3-1-2-4-11/h3,5-9H,1-2,4H2,(H,16,17)
InChIKeyORVFSMGWMYFRGP-UHFFFAOYSA-N
XLogP4.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine (CID 86645047) is N-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine is Clc1ccc(Nc2nccs2)cc1OC1=CCCC1.
What is the InChIKey of N-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is ORVFSMGWMYFRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-12-6-5-10(17-14-16-7-8-19-14)9-13(12)18-11-3-1-2-4-11/h3,5-9H,1-2,4H2,(H,16,17).
What are the key properties of N-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine?
N-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 292.79 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclopenten-1-yloxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86645047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).