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

C15H15ClN2OS — CID 15956110

IUPACN-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nccs2)cc1OCC1=CCCC1
InChIInChI=1S/C15H15ClN2OS/c16-13-6-5-12(18-15-17-7-8-20-15)9-14(13)19-10-11-3-1-2-4-11/h3,5-9H,1-2,4,10H2,(H,17,18)
InChIKeyBROGDTLMLBKKET-UHFFFAOYSA-N
MW306.82 g/mol
LogP5.03
Rot. Bonds5

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

N-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 15956110) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID15956110
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nccs2)cc1OCC1=CCCC1
InChIInChI=1S/C15H15ClN2OS/c16-13-6-5-12(18-15-17-7-8-20-15)9-14(13)19-10-11-3-1-2-4-11/h3,5-9H,1-2,4,10H2,(H,17,18)
InChIKeyBROGDTLMLBKKET-UHFFFAOYSA-N
XLogP5.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.82
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956092
N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]thiazol-2-amine
CID 15956109
N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956090
N-[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956091
2-Thiazolamine, N-[4-chloro-3-(2-furanylmethoxy)phenyl]-
CID 15956098
N-[4-chloro-3-(3-furylmethoxy)phenyl]thiazol-2-amine
CID 15956100
N-[4-chloro-3-(3-thienylmethoxy)phenyl]thiazol-2-amine
CID 15956104
N-(3-(benzyloxy)-4-chlorophenyl)thiazol-2-amine
CID 15956108
N-[3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956089
N-[4-chloro-3-(2-thienylmethoxy)phenyl]thiazol-2-amine
CID 15956102
N-(4-chloro-3-(thiazol-2-ylmethoxy)phenyl)thiazol-2-amine
CID 15956106
N-(4-chloro-3-((2-methylcyclopent-1-enyl)methoxy)phenyl)thiazol-2-amine
CID 15956112

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine (CID 15956110) is N-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine is Clc1ccc(Nc2nccs2)cc1OCC1=CCCC1.
What is the InChIKey of N-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is BROGDTLMLBKKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-13-6-5-12(18-15-17-7-8-20-15)9-14(13)19-10-11-3-1-2-4-11/h3,5-9H,1-2,4,10H2,(H,17,18).
What are the key properties of N-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
N-[4-chloro-3-(cyclopenten-1-ylmethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 306.82 g/mol, XLogP of 5.03, 5 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-ylmethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15956110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).