acetonitrile;3-methyl-1,2-thiazol-5-amine

C6H9N3S — CID 143182912

IUPACacetonitrile;3-methyl-1,2-thiazol-5-amine
SMILESCC#N.Cc1cc(N)sn1
InChIInChI=1S/C4H6N2S.C2H3N/c1-3-2-4(5)7-6-3;1-2-3/h2H,5H2,1H3;1H3
InChIKeyAMJRDFORHFMZKC-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.56
Rot. Bonds

About acetonitrile;3-methyl-1,2-thiazol-5-amine

acetonitrile;3-methyl-1,2-thiazol-5-amine (PubChem CID 143182912) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is acetonitrile;3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Nameacetonitrile;3-methyl-1,2-thiazol-5-amine
PubChem CID143182912
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Nameacetonitrile;3-methyl-1,2-thiazol-5-amine
SMILESCC#N.Cc1cc(N)sn1
InChIInChI=1S/C4H6N2S.C2H3N/c1-3-2-4(5)7-6-3;1-2-3/h2H,5H2,1H3;1H3
InChIKeyAMJRDFORHFMZKC-UHFFFAOYSA-N
XLogP1.56
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;3-methyl-1,2-thiazol-5-amine?
The IUPAC name of acetonitrile;3-methyl-1,2-thiazol-5-amine (CID 143182912) is acetonitrile;3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for acetonitrile;3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for acetonitrile;3-methyl-1,2-thiazol-5-amine is CC#N.Cc1cc(N)sn1.
What is the InChIKey of acetonitrile;3-methyl-1,2-thiazol-5-amine?
The InChIKey is AMJRDFORHFMZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.C2H3N/c1-3-2-4(5)7-6-3;1-2-3/h2H,5H2,1H3;1H3.
What are the key properties of acetonitrile;3-methyl-1,2-thiazol-5-amine?
acetonitrile;3-methyl-1,2-thiazol-5-amine has a molecular weight of 155.23 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 143182912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).