3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile

C10H14ClN3S2 — CID 133427250

IUPAC3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile
SMILESCCN(CC)CCSc1snc(Cl)c1C#N
InChIInChI=1S/C10H14ClN3S2/c1-3-14(4-2)5-6-15-10-8(7-12)9(11)13-16-10/h3-6H2,1-2H3
InChIKeyIWBJYLBEEFMSOA-UHFFFAOYSA-N
MW275.83 g/mol
LogP3.10
Rot. Bonds6

About 3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile

3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile (PubChem CID 133427250) has the molecular formula C10H14ClN3S2 and a molecular weight of 275.83 g/mol. Its IUPAC name is 3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile
PubChem CID133427250
Molecular FormulaC10H14ClN3S2
Molecular Weight275.83 g/mol
Exact Mass275.03
IUPAC Name3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile
SMILESCCN(CC)CCSc1snc(Cl)c1C#N
InChIInChI=1S/C10H14ClN3S2/c1-3-14(4-2)5-6-15-10-8(7-12)9(11)13-16-10/h3-6H2,1-2H3
InChIKeyIWBJYLBEEFMSOA-UHFFFAOYSA-N
XLogP3.10
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.83
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile (CID 133427250) is 3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile is CCN(CC)CCSc1snc(Cl)c1C#N.
What is the InChIKey of 3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile?
The InChIKey is IWBJYLBEEFMSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S2/c1-3-14(4-2)5-6-15-10-8(7-12)9(11)13-16-10/h3-6H2,1-2H3.
What are the key properties of 3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile has a molecular weight of 275.83 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(diethylamino)ethylsulfanyl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133427250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).