4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile

C7H6ClF2N3S — CID 131165425

IUPAC4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile
SMILESCC(F)(F)CNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C7H6ClF2N3S/c1-7(9,10)3-12-6-13-5(8)4(2-11)14-6/h3H2,1H3,(H,12,13)
InChIKeyHSULKGZDRARILQ-UHFFFAOYSA-N
MW237.66 g/mol
LogP2.74
Rot. Bonds3

About 4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile

4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile (PubChem CID 131165425) has the molecular formula C7H6ClF2N3S and a molecular weight of 237.66 g/mol. Its IUPAC name is 4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile
PubChem CID131165425
Molecular FormulaC7H6ClF2N3S
Molecular Weight237.66 g/mol
Exact Mass236.99
IUPAC Name4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile
SMILESCC(F)(F)CNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C7H6ClF2N3S/c1-7(9,10)3-12-6-13-5(8)4(2-11)14-6/h3H2,1H3,(H,12,13)
InChIKeyHSULKGZDRARILQ-UHFFFAOYSA-N
XLogP2.74
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile (CID 131165425) is 4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile is CC(F)(F)CNc1nc(Cl)c(C#N)s1.
What is the InChIKey of 4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile?
The InChIKey is HSULKGZDRARILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N3S/c1-7(9,10)3-12-6-13-5(8)4(2-11)14-6/h3H2,1H3,(H,12,13).
What are the key properties of 4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile has a molecular weight of 237.66 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-difluoropropylamino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 131165425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).