formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole

C17H25N5OS — CID 144612092

IUPACformamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCN1CCC(c2cn[nH]c2-c2nc3c(s2)CCCC3)CC1.NC=O
InChIInChI=1S/C16H22N4S.CH3NO/c1-20-8-6-11(7-9-20)12-10-17-19-15(12)16-18-13-4-2-3-5-14(13)21-16;2-1-3/h10-11H,2-9H2,1H3,(H,17,19);1H,(H2,2,3)
InChIKeyVVBOXBPGUYZTJV-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.32
Rot. Bonds2

About formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole

formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 144612092) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Nameformamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID144612092
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Nameformamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCN1CCC(c2cn[nH]c2-c2nc3c(s2)CCCC3)CC1.NC=O
InChIInChI=1S/C16H22N4S.CH3NO/c1-20-8-6-11(7-9-20)12-10-17-19-15(12)16-18-13-4-2-3-5-14(13)21-16;2-1-3/h10-11H,2-9H2,1H3,(H,17,19);1H,(H2,2,3)
InChIKeyVVBOXBPGUYZTJV-UHFFFAOYSA-N
XLogP2.32
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 144612092) is formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole is CN1CCC(c2cn[nH]c2-c2nc3c(s2)CCCC3)CC1.NC=O.
What is the InChIKey of formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is VVBOXBPGUYZTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S.CH3NO/c1-20-8-6-11(7-9-20)12-10-17-19-15(12)16-18-13-4-2-3-5-14(13)21-16;2-1-3/h10-11H,2-9H2,1H3,(H,17,19);1H,(H2,2,3).
What are the key properties of formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 347.49 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;2-[4-(1-methylpiperidin-4-yl)-1H-pyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 144612092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).