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

C10H15ClN2OS — CID 107125489

IUPACN-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC1c1ncc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-14-3-2-12-5-7-4-8(7)10-13-6-9(11)15-10/h6-8,12H,2-5H2,1H3
InChIKeyGXEPDCDRMJHEKM-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.14
Rot. Bonds6

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

N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine (PubChem CID 107125489) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine
PubChem CID107125489
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC NameN-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CC1c1ncc(Cl)s1
InChIInChI=1S/C10H15ClN2OS/c1-14-3-2-12-5-7-4-8(7)10-13-6-9(11)15-10/h6-8,12H,2-5H2,1H3
InChIKeyGXEPDCDRMJHEKM-UHFFFAOYSA-N
XLogP2.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine
CID 107125484
N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine
CID 107125483
2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine
CID 104771675
2-[2-(bromomethyl)cyclopropyl]-5-chloro-1,3-thiazole
CID 107126092
N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712121
2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62713194
N-[[2-(2-ethoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712834
2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62714428
N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62713547
2-methoxy-N-[[2-(4-nitrophenyl)cyclopropyl]methyl]ethanamine
CID 62712107
N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine
CID 62708727
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 65101607

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine (CID 107125489) is N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine is COCCNCC1CC1c1ncc(Cl)s1.
What is the InChIKey of N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine?
The InChIKey is GXEPDCDRMJHEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-14-3-2-12-5-7-4-8(7)10-13-6-9(11)15-10/h6-8,12H,2-5H2,1H3.
What are the key properties of N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine?
N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine has a molecular weight of 246.76 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107125489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).