[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone

C15H19N5O2S — CID 154779345

IUPAC[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone
SMILESCc1csc(C2COCCN2C(=O)C2CCc3n[nH]nc3C2)n1
InChIInChI=1S/C15H19N5O2S/c1-9-8-23-14(16-9)13-7-22-5-4-20(13)15(21)10-2-3-11-12(6-10)18-19-17-11/h8,10,13H,2-7H2,1H3,(H,17,18,19)
InChIKeyNXICZSKYGFDDTL-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.27
Rot. Bonds2

About [3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone

[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone (PubChem CID 154779345) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is [3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone
PubChem CID154779345
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone
SMILESCc1csc(C2COCCN2C(=O)C2CCc3n[nH]nc3C2)n1
InChIInChI=1S/C15H19N5O2S/c1-9-8-23-14(16-9)13-7-22-5-4-20(13)15(21)10-2-3-11-12(6-10)18-19-17-11/h8,10,13H,2-7H2,1H3,(H,17,18,19)
InChIKeyNXICZSKYGFDDTL-UHFFFAOYSA-N
XLogP1.27
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone?
The IUPAC name of [3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone (CID 154779345) is [3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone.
What is the SMILES notation for [3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone?
The canonical SMILES for [3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone is Cc1csc(C2COCCN2C(=O)C2CCc3n[nH]nc3C2)n1.
What is the InChIKey of [3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone?
The InChIKey is NXICZSKYGFDDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-9-8-23-14(16-9)13-7-22-5-4-20(13)15(21)10-2-3-11-12(6-10)18-19-17-11/h8,10,13H,2-7H2,1H3,(H,17,18,19).
What are the key properties of [3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone?
[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone has a molecular weight of 333.42 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone is sourced from PubChem (CID 154779345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).