1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine

C10H14N4S — CID 106721122

IUPAC1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(Cc2nccs2)cn1
InChIInChI=1S/C10H14N4S/c1-8(11)4-9-5-14(7-13-9)6-10-12-2-3-15-10/h2-3,5,7-8H,4,6,11H2,1H3
InChIKeyWPROLLXCSKRXLF-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.28
Rot. Bonds4

About 1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine

1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine (PubChem CID 106721122) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine
PubChem CID106721122
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(Cc2nccs2)cn1
InChIInChI=1S/C10H14N4S/c1-8(11)4-9-5-14(7-13-9)6-10-12-2-3-15-10/h2-3,5,7-8H,4,6,11H2,1H3
InChIKeyWPROLLXCSKRXLF-UHFFFAOYSA-N
XLogP1.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanamine
CID 106718131
[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]methanol
CID 106717387
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721026
1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721205
1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
CID 106721170
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106721143
4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile
CID 106721187
1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine
CID 106721010
1-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721091

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine (CID 106721122) is 1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine is CC(N)Cc1cn(Cc2nccs2)cn1.
What is the InChIKey of 1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine?
The InChIKey is WPROLLXCSKRXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-8(11)4-9-5-14(7-13-9)6-10-12-2-3-15-10/h2-3,5,7-8H,4,6,11H2,1H3.
What are the key properties of 1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine?
1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine has a molecular weight of 222.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).