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

C14H16N4OS — CID 71941169

IUPACN-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESC=CCN(C(=O)c1ccn[nH]1)c1nc2c(s1)CCCC2
InChIInChI=1S/C14H16N4OS/c1-2-9-18(13(19)11-7-8-15-17-11)14-16-10-5-3-4-6-12(10)20-14/h2,7-8H,1,3-6,9H2,(H,15,17)
InChIKeyUPHDVWWVURSIRL-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.58
Rot. Bonds4

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

N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 71941169) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID71941169
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESC=CCN(C(=O)c1ccn[nH]1)c1nc2c(s1)CCCC2
InChIInChI=1S/C14H16N4OS/c1-2-9-18(13(19)11-7-8-15-17-11)14-16-10-5-3-4-6-12(10)20-14/h2,7-8H,1,3-6,9H2,(H,15,17)
InChIKeyUPHDVWWVURSIRL-UHFFFAOYSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 71941169) is N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide is C=CCN(C(=O)c1ccn[nH]1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is UPHDVWWVURSIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-2-9-18(13(19)11-7-8-15-17-11)14-16-10-5-3-4-6-12(10)20-14/h2,7-8H,1,3-6,9H2,(H,15,17).
What are the key properties of N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide?
N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71941169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).