N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide

C17H18N4OS — CID 117085987

IUPACN-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1nn(C)c(C)c1-c1nc2ccc(C(=O)NC3CC3)cc2s1
InChIInChI=1S/C17H18N4OS/c1-9-15(10(2)21(3)20-9)17-19-13-7-4-11(8-14(13)23-17)16(22)18-12-5-6-12/h4,7-8,12H,5-6H2,1-3H3,(H,18,22)
InChIKeyVFANFWBFWOTOKN-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.21
Rot. Bonds3

About N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide

N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 117085987) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID117085987
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1nn(C)c(C)c1-c1nc2ccc(C(=O)NC3CC3)cc2s1
InChIInChI=1S/C17H18N4OS/c1-9-15(10(2)21(3)20-9)17-19-13-7-4-11(8-14(13)23-17)16(22)18-12-5-6-12/h4,7-8,12H,5-6H2,1-3H3,(H,18,22)
InChIKeyVFANFWBFWOTOKN-UHFFFAOYSA-N
XLogP3.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide (CID 117085987) is N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide is Cc1nn(C)c(C)c1-c1nc2ccc(C(=O)NC3CC3)cc2s1.
What is the InChIKey of N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is VFANFWBFWOTOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-9-15(10(2)21(3)20-9)17-19-13-7-4-11(8-14(13)23-17)16(22)18-12-5-6-12/h4,7-8,12H,5-6H2,1-3H3,(H,18,22).
What are the key properties of N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide?
N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117085987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).