N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide

C16H16N4OS — CID 56744170

IUPACN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCn1cc(CN(C(=O)c2ccc3ncsc3c2)C2CC2)cn1
InChIInChI=1S/C16H16N4OS/c1-19-8-11(7-18-19)9-20(13-3-4-13)16(21)12-2-5-14-15(6-12)22-10-17-14/h2,5-8,10,13H,3-4,9H2,1H3
InChIKeyVCFLEVJOCHYOFD-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.83
Rot. Bonds4

About N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide

N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 56744170) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID56744170
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCn1cc(CN(C(=O)c2ccc3ncsc3c2)C2CC2)cn1
InChIInChI=1S/C16H16N4OS/c1-19-8-11(7-18-19)9-20(13-3-4-13)16(21)12-2-5-14-15(6-12)22-10-17-14/h2,5-8,10,13H,3-4,9H2,1H3
InChIKeyVCFLEVJOCHYOFD-UHFFFAOYSA-N
XLogP2.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide (CID 56744170) is N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide is Cn1cc(CN(C(=O)c2ccc3ncsc3c2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is VCFLEVJOCHYOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-19-8-11(7-18-19)9-20(13-3-4-13)16(21)12-2-5-14-15(6-12)22-10-17-14/h2,5-8,10,13H,3-4,9H2,1H3.
What are the key properties of N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide?
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 56744170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).