2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine

C16H25N7O2S — CID 77078673

IUPAC2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCOCCn1nnnc1C1CN(Cc2cnc(N3CCCC3)s2)CCO1
InChIInChI=1S/C16H25N7O2S/c1-24-8-7-23-15(18-19-20-23)14-12-21(6-9-25-14)11-13-10-17-16(26-13)22-4-2-3-5-22/h10,14H,2-9,11-12H2,1H3
InChIKeyDPKFDJNHYZBJMA-UHFFFAOYSA-N
MW379.49 g/mol
LogP0.95
Rot. Bonds7

About 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine

2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 77078673) has the molecular formula C16H25N7O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID77078673
Molecular FormulaC16H25N7O2S
Molecular Weight379.49 g/mol
Exact Mass379.18
IUPAC Name2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCOCCn1nnnc1C1CN(Cc2cnc(N3CCCC3)s2)CCO1
InChIInChI=1S/C16H25N7O2S/c1-24-8-7-23-15(18-19-20-23)14-12-21(6-9-25-14)11-13-10-17-16(26-13)22-4-2-3-5-22/h10,14H,2-9,11-12H2,1H3
InChIKeyDPKFDJNHYZBJMA-UHFFFAOYSA-N
XLogP0.95
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine (CID 77078673) is 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine is COCCn1nnnc1C1CN(Cc2cnc(N3CCCC3)s2)CCO1.
What is the InChIKey of 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is DPKFDJNHYZBJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2S/c1-24-8-7-23-15(18-19-20-23)14-12-21(6-9-25-14)11-13-10-17-16(26-13)22-4-2-3-5-22/h10,14H,2-9,11-12H2,1H3.
What are the key properties of 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine?
2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 379.49 g/mol, XLogP of 0.95, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 77078673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).