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

C12H17N3S2 — CID 104841402

IUPACN-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(-c2cncs2)nc1CC
InChIInChI=1S/C12H17N3S2/c1-3-5-13-6-10-9(4-2)15-12(17-10)11-7-14-8-16-11/h7-8,13H,3-6H2,1-2H3
InChIKeyPJXSGEIKEWJJSB-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.33
Rot. Bonds6

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

N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 104841402) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID104841402
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC NameN-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(-c2cncs2)nc1CC
InChIInChI=1S/C12H17N3S2/c1-3-5-13-6-10-9(4-2)15-12(17-10)11-7-14-8-16-11/h7-8,13H,3-6H2,1-2H3
InChIKeyPJXSGEIKEWJJSB-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.33
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

1-[4-tert-butyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362311
[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol
CID 104841463
N-[[2-(3,5-difluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363996
N-[[2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368957
N-[[2-(3,5-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107918079
N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428693
N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364081
N-[[4-ethyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82429324
N-[[4-ethyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116633346
N-[[2-(4-methylthiophen-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363941
N-[[2-(2-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82431325
N-[[2-(cyclopentylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841548

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 104841402) is N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(-c2cncs2)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is PJXSGEIKEWJJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-3-5-13-6-10-9(4-2)15-12(17-10)11-7-14-8-16-11/h7-8,13H,3-6H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 104841402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).