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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Related Compounds

4-methyl-5-N-[(1-methylpyrazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364929
5-N-[(1-methylpyrazol-3-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103383828
3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383582
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882084
3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile
CID 103383141
6-methyl-2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873619
2-chloro-4-[(1-methylpyrazol-3-yl)methylamino]benzonitrile
CID 82865972
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704
6-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbonitrile
CID 82873499
3-amino-5-anilino-1,2-thiazole-4-carbonitrile
CID 14171368
N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 82872726

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).