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

C16H25N7O2S — CID 99926144

IUPAC(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCOCCn1nnnc1[C@H]1CN(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/t14-/m1/s1
InChIKeyDPKFDJNHYZBJMA-CQSZACIVSA-N
MW379.49 g/mol
LogP0.95
Rot. Bonds7

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

(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 99926144) has the molecular formula C16H25N7O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID99926144
Molecular FormulaC16H25N7O2S
Molecular Weight379.49 g/mol
Exact Mass379.18
IUPAC Name(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCOCCn1nnnc1[C@H]1CN(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/t14-/m1/s1
InChIKeyDPKFDJNHYZBJMA-CQSZACIVSA-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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Related Compounds

(2R)-4-(1H-benzimidazol-2-ylmethyl)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 99926108
(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
CID 124841302
2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]morpholine
CID 91844335
(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine
CID 124755660
3-[2-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 91836283
5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 99936999
N-(4-fluorophenyl)-2-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]acetamide
CID 124756422
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 124754682
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763
1-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-pyridin-3-ylethanone
CID 118778786
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]ethanone
CID 74243081
4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129001246

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine (CID 99926144) is (2R)-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 (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine is COCCn1nnnc1[C@H]1CN(Cc2cnc(N3CCCC3)s2)CCO1.
What is the InChIKey of (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is DPKFDJNHYZBJMA-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine?
(2R)-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 (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 99926144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).