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

C15H23N5S — CID 53192771

IUPAC4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(c2nncn2C(C)C)C1
InChIInChI=1S/C15H23N5S/c1-11(2)20-9-17-18-15(20)13-5-4-6-19(7-13)8-14-12(3)16-10-21-14/h9-11,13H,4-8H2,1-3H3
InChIKeyJDTYYAOVXZJQOU-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.00
Rot. Bonds4

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

4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 53192771) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID53192771
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(c2nncn2C(C)C)C1
InChIInChI=1S/C15H23N5S/c1-11(2)20-9-17-18-15(20)13-5-4-6-19(7-13)8-14-12(3)16-10-21-14/h9-11,13H,4-8H2,1-3H3
InChIKeyJDTYYAOVXZJQOU-UHFFFAOYSA-N
XLogP3.00
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 53192771) is 4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1ncsc1CN1CCCC(c2nncn2C(C)C)C1.
What is the InChIKey of 4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is JDTYYAOVXZJQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-11(2)20-9-17-18-15(20)13-5-4-6-19(7-13)8-14-12(3)16-10-21-14/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 305.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 53192771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).