5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile

C10H14ClN3O2S — CID 56804294

IUPAC5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile
SMILESCOCCN(CCOC)c1snc(Cl)c1C#N
InChIInChI=1S/C10H14ClN3O2S/c1-15-5-3-14(4-6-16-2)10-8(7-12)9(11)13-17-10/h3-6H2,1-2H3
InChIKeyZQNUCLKYBAEQEP-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.77
Rot. Bonds7

About 5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile

5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile (PubChem CID 56804294) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile
PubChem CID56804294
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile
SMILESCOCCN(CCOC)c1snc(Cl)c1C#N
InChIInChI=1S/C10H14ClN3O2S/c1-15-5-3-14(4-6-16-2)10-8(7-12)9(11)13-17-10/h3-6H2,1-2H3
InChIKeyZQNUCLKYBAEQEP-UHFFFAOYSA-N
XLogP1.77
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile (CID 56804294) is 5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile is COCCN(CCOC)c1snc(Cl)c1C#N.
What is the InChIKey of 5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile?
The InChIKey is ZQNUCLKYBAEQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-15-5-3-14(4-6-16-2)10-8(7-12)9(11)13-17-10/h3-6H2,1-2H3.
What are the key properties of 5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile?
5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile has a molecular weight of 275.76 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methoxyethyl)amino]-3-chloro-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 56804294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).