N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine

C8H10N4S — CID 10081340

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine
SMILESc1csc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C8H10N4S/c1(7-5-9-6-12-7)2-10-8-11-3-4-13-8/h3-6H,1-2H2,(H,9,12)(H,10,11)
InChIKeyVWSLDINBSHGBKX-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.52
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine

N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 10081340) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID10081340
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine
SMILESc1csc(NCCc2cnc[nH]2)n1
InChIInChI=1S/C8H10N4S/c1(7-5-9-6-12-7)2-10-8-11-3-4-13-8/h3-6H,1-2H2,(H,9,12)(H,10,11)
InChIKeyVWSLDINBSHGBKX-UHFFFAOYSA-N
XLogP1.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine (CID 10081340) is N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine is c1csc(NCCc2cnc[nH]2)n1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is VWSLDINBSHGBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1(7-5-9-6-12-7)2-10-8-11-3-4-13-8/h3-6H,1-2H2,(H,9,12)(H,10,11).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 194.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 10081340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).