N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

C12H17ClN4S — CID 114275714

IUPACN-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNCCc1csc(-c2ncc(Cl)n2C)n1
InChIInChI=1S/C12H17ClN4S/c1-3-5-14-6-4-9-8-18-12(16-9)11-15-7-10(13)17(11)2/h7-8,14H,3-6H2,1-2H3
InChIKeyPNIANVCHDGHSFM-UHFFFAOYSA-N
MW284.82 g/mol
LogP2.74
Rot. Bonds6

About N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 114275714) has the molecular formula C12H17ClN4S and a molecular weight of 284.82 g/mol. Its IUPAC name is N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID114275714
Molecular FormulaC12H17ClN4S
Molecular Weight284.82 g/mol
Exact Mass284.09
IUPAC NameN-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNCCc1csc(-c2ncc(Cl)n2C)n1
InChIInChI=1S/C12H17ClN4S/c1-3-5-14-6-4-9-8-18-12(16-9)11-15-7-10(13)17(11)2/h7-8,14H,3-6H2,1-2H3
InChIKeyPNIANVCHDGHSFM-UHFFFAOYSA-N
XLogP2.74
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.82
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroethyl)-2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazole
CID 130512359
1-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 114239483
3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine
CID 143488905
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine
CID 106045197
N-[[2-(3,5-dichlorophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280310
2-[2-(4-bromo-2-chlorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 114275704
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106045268
N-[[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280692
N-[[2-(2-ethylpyrazol-3-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 114557194
2-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089115
N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045200
N-methyl-2-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115089122

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 114275714) is N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNCCc1csc(-c2ncc(Cl)n2C)n1.
What is the InChIKey of N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is PNIANVCHDGHSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4S/c1-3-5-14-6-4-9-8-18-12(16-9)11-15-7-10(13)17(11)2/h7-8,14H,3-6H2,1-2H3.
What are the key properties of N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 284.82 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 114275714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).