2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine

C10H14N4S2 — CID 66385881

IUPAC2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(CNCc2cscn2)cs1
InChIInChI=1S/C10H14N4S2/c11-2-1-10-14-9(6-16-10)4-12-3-8-5-15-7-13-8/h5-7,12H,1-4,11H2
InChIKeyIBNRQSRKDAHXNJ-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.39
Rot. Bonds6

About 2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine

2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66385881) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66385881
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(CNCc2cscn2)cs1
InChIInChI=1S/C10H14N4S2/c11-2-1-10-14-9(6-16-10)4-12-3-8-5-15-7-13-8/h5-7,12H,1-4,11H2
InChIKeyIBNRQSRKDAHXNJ-UHFFFAOYSA-N
XLogP1.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1,3-thiazol-4-ylmethylamino)ethoxy]ethanamine
CID 79478623
[4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1,3-thiazol-2-yl]methanamine
CID 66378687
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine
CID 66390766
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 66390760
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 114159739
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
CID 47013530
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
1,3-thiazol-4-ylmethylhydrazine;dihydrochloride
CID 133057420
1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61223186

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine (CID 66385881) is 2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine is NCCc1nc(CNCc2cscn2)cs1.
What is the InChIKey of 2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is IBNRQSRKDAHXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c11-2-1-10-14-9(6-16-10)4-12-3-8-5-15-7-13-8/h5-7,12H,1-4,11H2.
What are the key properties of 2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine?
2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 254.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,3-thiazol-4-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66385881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).