3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile

C9H10N6S — CID 103383830

IUPAC3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESCn1ccc(CNc2snc(N)c2C#N)n1
InChIInChI=1S/C9H10N6S/c1-15-3-2-6(13-15)5-12-9-7(4-10)8(11)14-16-9/h2-3,12H,5H2,1H3,(H2,11,14)
InChIKeyRIYWQPIKWQRDHF-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.94
Rot. Bonds3

About 3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile

3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 103383830) has the molecular formula C9H10N6S and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile
PubChem CID103383830
Molecular FormulaC9H10N6S
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESCn1ccc(CNc2snc(N)c2C#N)n1
InChIInChI=1S/C9H10N6S/c1-15-3-2-6(13-15)5-12-9-7(4-10)8(11)14-16-9/h2-3,12H,5H2,1H3,(H2,11,14)
InChIKeyRIYWQPIKWQRDHF-UHFFFAOYSA-N
XLogP0.94
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile (CID 103383830) is 3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile is Cn1ccc(CNc2snc(N)c2C#N)n1.
What is the InChIKey of 3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is RIYWQPIKWQRDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6S/c1-15-3-2-6(13-15)5-12-9-7(4-10)8(11)14-16-9/h2-3,12H,5H2,1H3,(H2,11,14).
What are the key properties of 3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 234.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103383830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).