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

C10H15ClN4S — CID 133381321

IUPAC3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCCN(CC)CCNc1snc(Cl)c1C#N
InChIInChI=1S/C10H15ClN4S/c1-3-15(4-2)6-5-13-10-8(7-12)9(11)14-16-10/h13H,3-6H2,1-2H3
InChIKeyLVNNTYGNXKMTFR-UHFFFAOYSA-N
MW258.78 g/mol
LogP2.42
Rot. Bonds6

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

3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 133381321) has the molecular formula C10H15ClN4S and a molecular weight of 258.78 g/mol. Its IUPAC name is 3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile
PubChem CID133381321
Molecular FormulaC10H15ClN4S
Molecular Weight258.78 g/mol
Exact Mass258.07
IUPAC Name3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCCN(CC)CCNc1snc(Cl)c1C#N
InChIInChI=1S/C10H15ClN4S/c1-3-15(4-2)6-5-13-10-8(7-12)9(11)14-16-10/h13H,3-6H2,1-2H3
InChIKeyLVNNTYGNXKMTFR-UHFFFAOYSA-N
XLogP2.42
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(2-methoxyethylamino)-1,2-thiazole-4-carbonitrile
CID 47214811
3-chloro-5-[[2-(dimethylamino)-2-methylpropyl]amino]-1,2-thiazole-4-carbonitrile
CID 133425145
3-chloro-5-[[(3S)-3-hydroxybutyl]amino]-1,2-thiazole-4-carbonitrile
CID 130646571
3-chloro-5-[(1-propylcyclopropyl)methylamino]-1,2-thiazole-4-carbonitrile
CID 133380535
3-chloro-5-(cyclopropylmethylamino)-1,2-thiazole-4-carbonitrile
CID 131159941
3-chloro-5-[(3-hydroxy-3-phenylbutyl)amino]-1,2-thiazole-4-carbonitrile
CID 133495653
3-chloro-5-[[(2S)-1-hydroxypropan-2-yl]amino]-1,2-thiazole-4-carbonitrile
CID 130687983
N-(3-chloro-4-cyano-1,2-thiazol-5-yl)-2,2-dimethylpropanamide
CID 19433807
3-chloro-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-1,2-thiazole-4-carbonitrile
CID 56804303
3-chloro-5-[3-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylamino]-1,2-thiazole-4-carbonitrile
CID 97212772
3-chloro-5-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propylamino]-1,2-thiazole-4-carbonitrile
CID 75371023
3-chloro-5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,2-thiazole-4-carbonitrile
CID 133337969

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile (CID 133381321) is 3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile is CCN(CC)CCNc1snc(Cl)c1C#N.
What is the InChIKey of 3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is LVNNTYGNXKMTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S/c1-3-15(4-2)6-5-13-10-8(7-12)9(11)14-16-10/h13H,3-6H2,1-2H3.
What are the key properties of 3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 258.78 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(diethylamino)ethylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133381321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).