3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile

C11H15ClN4S — CID 146089021

IUPAC3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESCC1C(N(C)C)CCN1c1snc(Cl)c1C#N
InChIInChI=1S/C11H15ClN4S/c1-7-9(15(2)3)4-5-16(7)11-8(6-13)10(12)14-17-11/h7,9H,4-5H2,1-3H3
InChIKeyGVSHMIJFHJGKQX-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.20
Rot. Bonds2

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

3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile (PubChem CID 146089021) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is 3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile
PubChem CID146089021
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESCC1C(N(C)C)CCN1c1snc(Cl)c1C#N
InChIInChI=1S/C11H15ClN4S/c1-7-9(15(2)3)4-5-16(7)11-8(6-13)10(12)14-17-11/h7,9H,4-5H2,1-3H3
InChIKeyGVSHMIJFHJGKQX-UHFFFAOYSA-N
XLogP2.20
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile (CID 146089021) is 3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile is CC1C(N(C)C)CCN1c1snc(Cl)c1C#N.
What is the InChIKey of 3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile?
The InChIKey is GVSHMIJFHJGKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-7-9(15(2)3)4-5-16(7)11-8(6-13)10(12)14-17-11/h7,9H,4-5H2,1-3H3.
What are the key properties of 3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile has a molecular weight of 270.79 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-(dimethylamino)-2-methylpyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 146089021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).