N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine

C8H10N4S — CID 106572943

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine
SMILESCc1ncsc1CNc1ncc[nH]1
InChIInChI=1S/C8H10N4S/c1-6-7(13-5-12-6)4-11-8-9-2-3-10-8/h2-3,5H,4H2,1H3,(H2,9,10,11)
InChIKeyMUWMSIZLZCEWCJ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.79
Rot. Bonds3

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine (PubChem CID 106572943) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine
PubChem CID106572943
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine
SMILESCc1ncsc1CNc1ncc[nH]1
InChIInChI=1S/C8H10N4S/c1-6-7(13-5-12-6)4-11-8-9-2-3-10-8/h2-3,5H,4H2,1H3,(H2,9,10,11)
InChIKeyMUWMSIZLZCEWCJ-UHFFFAOYSA-N
XLogP1.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine (CID 106572943) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine is Cc1ncsc1CNc1ncc[nH]1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine?
The InChIKey is MUWMSIZLZCEWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-6-7(13-5-12-6)4-11-8-9-2-3-10-8/h2-3,5H,4H2,1H3,(H2,9,10,11).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine has a molecular weight of 194.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 106572943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).