1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C8H10N4S — CID 62763385

IUPAC1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCc2cnc[nH]2)n1
InChIInChI=1S/C8H10N4S/c1-2-13-8(11-1)5-9-3-7-4-10-6-12-7/h1-2,4,6,9H,3,5H2,(H,10,12)
InChIKeyXBAJXNBGNCNJRQ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.16
Rot. Bonds4

About 1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 62763385) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID62763385
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCc2cnc[nH]2)n1
InChIInChI=1S/C8H10N4S/c1-2-13-8(11-1)5-9-3-7-4-10-6-12-7/h1-2,4,6,9H,3,5H2,(H,10,12)
InChIKeyXBAJXNBGNCNJRQ-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 62763385) is 1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1csc(CNCc2cnc[nH]2)n1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is XBAJXNBGNCNJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-2-13-8(11-1)5-9-3-7-4-10-6-12-7/h1-2,4,6,9H,3,5H2,(H,10,12).
What are the key properties of 1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 194.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 62763385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).