N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide

C14H18N4OS — CID 60610227

IUPACN-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCCC1CCc2nc(NC(=O)c3ccn[nH]3)sc2C1
InChIInChI=1S/C14H18N4OS/c1-2-3-9-4-5-10-12(8-9)20-14(16-10)17-13(19)11-6-7-15-18-11/h6-7,9H,2-5,8H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyPYPUQYIHJOVZLY-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.02
Rot. Bonds4

About N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide

N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 60610227) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID60610227
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCCC1CCc2nc(NC(=O)c3ccn[nH]3)sc2C1
InChIInChI=1S/C14H18N4OS/c1-2-3-9-4-5-10-12(8-9)20-14(16-10)17-13(19)11-6-7-15-18-11/h6-7,9H,2-5,8H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyPYPUQYIHJOVZLY-UHFFFAOYSA-N
XLogP3.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 60610227) is N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide is CCCC1CCc2nc(NC(=O)c3ccn[nH]3)sc2C1.
What is the InChIKey of N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PYPUQYIHJOVZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-3-9-4-5-10-12(8-9)20-14(16-10)17-13(19)11-6-7-15-18-11/h6-7,9H,2-5,8H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide?
N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 60610227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).