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

C15H23N5S — CID 53192557

IUPAC4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCCCn1cnnc1C1CCN(Cc2scnc2C)CC1
InChIInChI=1S/C15H23N5S/c1-3-6-20-10-17-18-15(20)13-4-7-19(8-5-13)9-14-12(2)16-11-21-14/h10-11,13H,3-9H2,1-2H3
InChIKeySFSXUGPDCMHAEL-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.83
Rot. Bonds5

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

4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 53192557) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID53192557
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCCCn1cnnc1C1CCN(Cc2scnc2C)CC1
InChIInChI=1S/C15H23N5S/c1-3-6-20-10-17-18-15(20)13-4-7-19(8-5-13)9-14-12(2)16-11-21-14/h10-11,13H,3-9H2,1-2H3
InChIKeySFSXUGPDCMHAEL-UHFFFAOYSA-N
XLogP2.83
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 53192557) is 4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole is CCCn1cnnc1C1CCN(Cc2scnc2C)CC1.
What is the InChIKey of 4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is SFSXUGPDCMHAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-3-6-20-10-17-18-15(20)13-4-7-19(8-5-13)9-14-12(2)16-11-21-14/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 305.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 53192557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).