5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide

C19H18N6OS — CID 166362097

IUPAC5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)(N)c1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)n[nH]1
InChIInChI=1S/C19H18N6OS/c1-19(2,20)15-9-13(24-25-15)17(26)23-16-8-7-11(10-21-16)18-22-12-5-3-4-6-14(12)27-18/h3-10H,20H2,1-2H3,(H,24,25)(H,21,23,26)
InChIKeyZXMWLCALYAPLHY-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.53
Rot. Bonds4

About 5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide

5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide (PubChem CID 166362097) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide
PubChem CID166362097
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)(N)c1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)n[nH]1
InChIInChI=1S/C19H18N6OS/c1-19(2,20)15-9-13(24-25-15)17(26)23-16-8-7-11(10-21-16)18-22-12-5-3-4-6-14(12)27-18/h3-10H,20H2,1-2H3,(H,24,25)(H,21,23,26)
InChIKeyZXMWLCALYAPLHY-UHFFFAOYSA-N
XLogP3.53
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide (CID 166362097) is 5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide is CC(C)(N)c1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cn2)n[nH]1.
What is the InChIKey of 5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZXMWLCALYAPLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-19(2,20)15-9-13(24-25-15)17(26)23-16-8-7-11(10-21-16)18-22-12-5-3-4-6-14(12)27-18/h3-10H,20H2,1-2H3,(H,24,25)(H,21,23,26).
What are the key properties of 5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide?
5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166362097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).