5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile

C10H15N3S — CID 21426747

IUPAC5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile
SMILESCCCC(C)(C)c1nsc(N)c1C#N
InChIInChI=1S/C10H15N3S/c1-4-5-10(2,3)8-7(6-11)9(12)14-13-8/h4-5,12H2,1-3H3
InChIKeyVPGNPQZPPZSYQP-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.67
Rot. Bonds3

About 5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile

5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile (PubChem CID 21426747) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile
PubChem CID21426747
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile
SMILESCCCC(C)(C)c1nsc(N)c1C#N
InChIInChI=1S/C10H15N3S/c1-4-5-10(2,3)8-7(6-11)9(12)14-13-8/h4-5,12H2,1-3H3
InChIKeyVPGNPQZPPZSYQP-UHFFFAOYSA-N
XLogP2.67
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile (CID 21426747) is 5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile is CCCC(C)(C)c1nsc(N)c1C#N.
What is the InChIKey of 5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile?
The InChIKey is VPGNPQZPPZSYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-4-5-10(2,3)8-7(6-11)9(12)14-13-8/h4-5,12H2,1-3H3.
What are the key properties of 5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile?
5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile has a molecular weight of 209.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 21426747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).