3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile

C15H21ClN4OS — CID 56805160

IUPAC3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1N1CCC(CCN2CCOCC2)CC1
InChIInChI=1S/C15H21ClN4OS/c16-14-13(11-17)15(22-18-14)20-5-2-12(3-6-20)1-4-19-7-9-21-10-8-19/h12H,1-10H2
InChIKeyJBUDZMIJYYRRCX-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.61
Rot. Bonds4

About 3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile

3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile (PubChem CID 56805160) has the molecular formula C15H21ClN4OS and a molecular weight of 340.88 g/mol. Its IUPAC name is 3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
PubChem CID56805160
Molecular FormulaC15H21ClN4OS
Molecular Weight340.88 g/mol
Exact Mass340.11
IUPAC Name3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1N1CCC(CCN2CCOCC2)CC1
InChIInChI=1S/C15H21ClN4OS/c16-14-13(11-17)15(22-18-14)20-5-2-12(3-6-20)1-4-19-7-9-21-10-8-19/h12H,1-10H2
InChIKeyJBUDZMIJYYRRCX-UHFFFAOYSA-N
XLogP2.61
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile (CID 56805160) is 3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1N1CCC(CCN2CCOCC2)CC1.
What is the InChIKey of 3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
The InChIKey is JBUDZMIJYYRRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4OS/c16-14-13(11-17)15(22-18-14)20-5-2-12(3-6-20)1-4-19-7-9-21-10-8-19/h12H,1-10H2.
What are the key properties of 3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile has a molecular weight of 340.88 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 56805160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).