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

C10H15ClN2S — CID 107125484

IUPACN-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1ncc(Cl)s1
InChIInChI=1S/C10H15ClN2S/c1-2-3-12-5-7-4-8(7)10-13-6-9(11)14-10/h6-8,12H,2-5H2,1H3
InChIKeyKZLNZDRTQFOWEY-UHFFFAOYSA-N
MW230.76 g/mol
LogP2.90
Rot. Bonds5

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

N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine (PubChem CID 107125484) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine
PubChem CID107125484
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC NameN-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1ncc(Cl)s1
InChIInChI=1S/C10H15ClN2S/c1-2-3-12-5-7-4-8(7)10-13-6-9(11)14-10/h6-8,12H,2-5H2,1H3
InChIKeyKZLNZDRTQFOWEY-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]ethanamine
CID 107125483
N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 107125489
N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine
CID 62708727
N-methyl-1-[2-(5-methyl-1,3-thiazol-2-yl)cyclopropyl]methanamine
CID 130892936
N-[[2-(7-chloro-1,3-benzodioxol-5-yl)cyclopropyl]methyl]propan-1-amine
CID 62708725
N-[[2-(2,6-difluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 62704418
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine
CID 63208002
N-[[2-(2-chloro-3,4-dimethoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 63631896
N-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)cyclopropyl]methyl]propan-1-amine
CID 62708356
2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine
CID 104771675
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 62708173

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine (CID 107125484) is N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine is CCCNCC1CC1c1ncc(Cl)s1.
What is the InChIKey of N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is KZLNZDRTQFOWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-2-3-12-5-7-4-8(7)10-13-6-9(11)14-10/h6-8,12H,2-5H2,1H3.
What are the key properties of N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine?
N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 230.76 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 107125484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).