5-amino-2-methyl-1,3-thiazole-4-carbonitrile

C5H5N3S — CID 20745813

IUPAC5-amino-2-methyl-1,3-thiazole-4-carbonitrile
SMILESCc1nc(C#N)c(N)s1
InChIInChI=1S/C5H5N3S/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3
InChIKeyCCNOBBUJPWLYMB-UHFFFAOYSA-N
MW139.18 g/mol
LogP0.91
Rot. Bonds

About 5-amino-2-methyl-1,3-thiazole-4-carbonitrile

5-amino-2-methyl-1,3-thiazole-4-carbonitrile (PubChem CID 20745813) has the molecular formula C5H5N3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 5-amino-2-methyl-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-methyl-1,3-thiazole-4-carbonitrile
PubChem CID20745813
Molecular FormulaC5H5N3S
Molecular Weight139.18 g/mol
Exact Mass139.02
IUPAC Name5-amino-2-methyl-1,3-thiazole-4-carbonitrile
SMILESCc1nc(C#N)c(N)s1
InChIInChI=1S/C5H5N3S/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3
InChIKeyCCNOBBUJPWLYMB-UHFFFAOYSA-N
XLogP0.91
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1,3-thiazole-4-carbonitrile?
The IUPAC name of 5-amino-2-methyl-1,3-thiazole-4-carbonitrile (CID 20745813) is 5-amino-2-methyl-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-methyl-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-methyl-1,3-thiazole-4-carbonitrile is Cc1nc(C#N)c(N)s1.
What is the InChIKey of 5-amino-2-methyl-1,3-thiazole-4-carbonitrile?
The InChIKey is CCNOBBUJPWLYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3.
What are the key properties of 5-amino-2-methyl-1,3-thiazole-4-carbonitrile?
5-amino-2-methyl-1,3-thiazole-4-carbonitrile has a molecular weight of 139.18 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 20745813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).