N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide

C15H25N5OS — CID 91833419

IUPACN-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide
SMILESCn1ccc(NC(=O)CN2CCN(C3CCSCC3)CC2)n1
InChIInChI=1S/C15H25N5OS/c1-18-5-2-14(17-18)16-15(21)12-19-6-8-20(9-7-19)13-3-10-22-11-4-13/h2,5,13H,3-4,6-12H2,1H3,(H,16,17,21)
InChIKeySHSVLJNBKMPOPU-UHFFFAOYSA-N
MW323.47 g/mol
LogP0.87
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide

N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide (PubChem CID 91833419) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide
PubChem CID91833419
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC NameN-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide
SMILESCn1ccc(NC(=O)CN2CCN(C3CCSCC3)CC2)n1
InChIInChI=1S/C15H25N5OS/c1-18-5-2-14(17-18)16-15(21)12-19-6-8-20(9-7-19)13-3-10-22-11-4-13/h2,5,13H,3-4,6-12H2,1H3,(H,16,17,21)
InChIKeySHSVLJNBKMPOPU-UHFFFAOYSA-N
XLogP0.87
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide (CID 91833419) is N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide is Cn1ccc(NC(=O)CN2CCN(C3CCSCC3)CC2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide?
The InChIKey is SHSVLJNBKMPOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-18-5-2-14(17-18)16-15(21)12-19-6-8-20(9-7-19)13-3-10-22-11-4-13/h2,5,13H,3-4,6-12H2,1H3,(H,16,17,21).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide?
N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide has a molecular weight of 323.47 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-[4-(thian-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 91833419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).