N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C12H17N3S2 — CID 114363883

IUPACN-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(-c2cscn2)sc1CNCC
InChIInChI=1S/C12H17N3S2/c1-3-5-9-11(6-13-4-2)17-12(15-9)10-7-16-8-14-10/h7-8,13H,3-6H2,1-2H3
InChIKeyJQGQWRYGMKKQEL-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.33
Rot. Bonds6

About N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114363883) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114363883
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC NameN-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(-c2cscn2)sc1CNCC
InChIInChI=1S/C12H17N3S2/c1-3-5-9-11(6-13-4-2)17-12(15-9)10-7-16-8-14-10/h7-8,13H,3-6H2,1-2H3
InChIKeyJQGQWRYGMKKQEL-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

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Related Compounds

1-[4-ethyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841070
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
N-[[2-(3,5-dibromo-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363849
N-[[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82432649
N-[[2-(3-bromo-5-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363835
N-[[2-(4-methylthiophen-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363941
N-[[2-(4-fluoro-2-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363839
N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432329
N-[[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 106951183
N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363649
N-[[2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364132
3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921876

Frequently Asked Questions

What is the IUPAC name of N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114363883) is N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCCc1nc(-c2cscn2)sc1CNCC.
What is the InChIKey of N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is JQGQWRYGMKKQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-3-5-9-11(6-13-4-2)17-12(15-9)10-7-16-8-14-10/h7-8,13H,3-6H2,1-2H3.
What are the key properties of N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine 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-propyl-2-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114363883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).