5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole

C15H21N5S — CID 53192055

IUPAC5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C15H21N5S/c1-10-13(21-9-16-10)8-20-6-2-3-12(7-20)15-17-14(18-19-15)11-4-5-11/h9,11-12H,2-8H2,1H3,(H,17,18,19)
InChIKeyGNLZPEBWESXXQW-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.83
Rot. Bonds4

About 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole

5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 53192055) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID53192055
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C15H21N5S/c1-10-13(21-9-16-10)8-20-6-2-3-12(7-20)15-17-14(18-19-15)11-4-5-11/h9,11-12H,2-8H2,1H3,(H,17,18,19)
InChIKeyGNLZPEBWESXXQW-UHFFFAOYSA-N
XLogP2.83
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 53192055) is 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCCC(c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is GNLZPEBWESXXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-10-13(21-9-16-10)8-20-6-2-3-12(7-20)15-17-14(18-19-15)11-4-5-11/h9,11-12H,2-8H2,1H3,(H,17,18,19).
What are the key properties of 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 303.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 53192055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).