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

C6H6ClN3S — CID 106595002

IUPAC4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile
SMILESCCNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C6H6ClN3S/c1-2-9-6-10-5(7)4(3-8)11-6/h2H2,1H3,(H,9,10)
InChIKeyJIJCDXMRIOWFAU-UHFFFAOYSA-N
MW187.66 g/mol
LogP2.10
Rot. Bonds2

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

4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile (PubChem CID 106595002) has the molecular formula C6H6ClN3S and a molecular weight of 187.66 g/mol. Its IUPAC name is 4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile
PubChem CID106595002
Molecular FormulaC6H6ClN3S
Molecular Weight187.66 g/mol
Exact Mass187.00
IUPAC Name4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile
SMILESCCNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C6H6ClN3S/c1-2-9-6-10-5(7)4(3-8)11-6/h2H2,1H3,(H,9,10)
InChIKeyJIJCDXMRIOWFAU-UHFFFAOYSA-N
XLogP2.10
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.66
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile (CID 106595002) is 4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile is CCNc1nc(Cl)c(C#N)s1.
What is the InChIKey of 4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile?
The InChIKey is JIJCDXMRIOWFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3S/c1-2-9-6-10-5(7)4(3-8)11-6/h2H2,1H3,(H,9,10).
What are the key properties of 4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile has a molecular weight of 187.66 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).