4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile

C10H15ClN4OS — CID 106149062

IUPAC4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile
SMILESCN(C)CC(C)(O)CNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C10H15ClN4OS/c1-10(16,6-15(2)3)5-13-9-14-8(11)7(4-12)17-9/h16H,5-6H2,1-3H3,(H,13,14)
InChIKeyJJENNTFQTGZCTC-UHFFFAOYSA-N
MW274.78 g/mol
LogP1.39
Rot. Bonds5

About 4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile

4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 106149062) has the molecular formula C10H15ClN4OS and a molecular weight of 274.78 g/mol. Its IUPAC name is 4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID106149062
Molecular FormulaC10H15ClN4OS
Molecular Weight274.78 g/mol
Exact Mass274.07
IUPAC Name4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile
SMILESCN(C)CC(C)(O)CNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C10H15ClN4OS/c1-10(16,6-15(2)3)5-13-9-14-8(11)7(4-12)17-9/h16H,5-6H2,1-3H3,(H,13,14)
InChIKeyJJENNTFQTGZCTC-UHFFFAOYSA-N
XLogP1.39
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile (CID 106149062) is 4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile is CN(C)CC(C)(O)CNc1nc(Cl)c(C#N)s1.
What is the InChIKey of 4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is JJENNTFQTGZCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4OS/c1-10(16,6-15(2)3)5-13-9-14-8(11)7(4-12)17-9/h16H,5-6H2,1-3H3,(H,13,14).
What are the key properties of 4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile?
4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 274.78 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106149062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).