1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

C10H13N3S2 — CID 63089651

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCc1csc(C(C)NCc2cscn2)n1
InChIInChI=1S/C10H13N3S2/c1-7-4-15-10(13-7)8(2)11-3-9-5-14-6-12-9/h4-6,8,11H,3H2,1-2H3
InChIKeyATYPIEWSYMFJHI-UHFFFAOYSA-N
MW239.37 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 63089651) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID63089651
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCc1csc(C(C)NCc2cscn2)n1
InChIInChI=1S/C10H13N3S2/c1-7-4-15-10(13-7)8(2)11-3-9-5-14-6-12-9/h4-6,8,11H,3H2,1-2H3
InChIKeyATYPIEWSYMFJHI-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78950293
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091931
1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63095222
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
1-(5-methylfuran-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60698178
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79427265
N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 104579189
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine
CID 66386414

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 63089651) is 1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is Cc1csc(C(C)NCc2cscn2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is ATYPIEWSYMFJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-7-4-15-10(13-7)8(2)11-3-9-5-14-6-12-9/h4-6,8,11H,3H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 239.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 63089651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).