4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide

C16H25N7OS — CID 143320241

IUPAC4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc(-n2cnnc2CCCN2CCNCC2)cs1
InChIInChI=1S/C16H25N7OS/c1-12(2)19-15(24)16-20-14(10-25-16)23-11-18-21-13(23)4-3-7-22-8-5-17-6-9-22/h10-12,17H,3-9H2,1-2H3,(H,19,24)
InChIKeyONCHHKNADDJASX-UHFFFAOYSA-N
MW363.49 g/mol
LogP0.70
Rot. Bonds7

About 4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide

4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 143320241) has the molecular formula C16H25N7OS and a molecular weight of 363.49 g/mol. Its IUPAC name is 4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID143320241
Molecular FormulaC16H25N7OS
Molecular Weight363.49 g/mol
Exact Mass363.18
IUPAC Name4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc(-n2cnnc2CCCN2CCNCC2)cs1
InChIInChI=1S/C16H25N7OS/c1-12(2)19-15(24)16-20-14(10-25-16)23-11-18-21-13(23)4-3-7-22-8-5-17-6-9-22/h10-12,17H,3-9H2,1-2H3,(H,19,24)
InChIKeyONCHHKNADDJASX-UHFFFAOYSA-N
XLogP0.70
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide (CID 143320241) is 4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide is CC(C)NC(=O)c1nc(-n2cnnc2CCCN2CCNCC2)cs1.
What is the InChIKey of 4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is ONCHHKNADDJASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7OS/c1-12(2)19-15(24)16-20-14(10-25-16)23-11-18-21-13(23)4-3-7-22-8-5-17-6-9-22/h10-12,17H,3-9H2,1-2H3,(H,19,24).
What are the key properties of 4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide?
4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-piperazin-1-ylpropyl)-1,2,4-triazol-4-yl]-N-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 143320241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).