2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile

C10H15ClN4S — CID 106596139

IUPAC2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
SMILESCC(C)C(C)(CN)Nc1nc(Cl)c(C#N)s1
InChIInChI=1S/C10H15ClN4S/c1-6(2)10(3,5-13)15-9-14-8(11)7(4-12)16-9/h6H,5,13H2,1-3H3,(H,14,15)
InChIKeyOZOGNSOQFFMMIL-UHFFFAOYSA-N
MW258.78 g/mol
LogP2.45
Rot. Bonds4

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

2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile (PubChem CID 106596139) has the molecular formula C10H15ClN4S and a molecular weight of 258.78 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
PubChem CID106596139
Molecular FormulaC10H15ClN4S
Molecular Weight258.78 g/mol
Exact Mass258.07
IUPAC Name2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
SMILESCC(C)C(C)(CN)Nc1nc(Cl)c(C#N)s1
InChIInChI=1S/C10H15ClN4S/c1-6(2)10(3,5-13)15-9-14-8(11)7(4-12)16-9/h6H,5,13H2,1-3H3,(H,14,15)
InChIKeyOZOGNSOQFFMMIL-UHFFFAOYSA-N
XLogP2.45
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile (CID 106596139) is 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile is CC(C)C(C)(CN)Nc1nc(Cl)c(C#N)s1.
What is the InChIKey of 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile?
The InChIKey is OZOGNSOQFFMMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S/c1-6(2)10(3,5-13)15-9-14-8(11)7(4-12)16-9/h6H,5,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile?
2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile has a molecular weight of 258.78 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106596139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).