N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine

C19H19N5OS — CID 87945656

IUPACN-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESCC(C)OCc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)cc3s2)c1
InChIInChI=1S/C19H19N5OS/c1-12(2)25-11-13-5-6-20-18(7-13)24-19-23-16-4-3-14(8-17(16)26-19)15-9-21-22-10-15/h3-10,12H,11H2,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyBVWDDMFSJMXRMH-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.75
Rot. Bonds6

About N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine

N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 87945656) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine
PubChem CID87945656
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESCC(C)OCc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)cc3s2)c1
InChIInChI=1S/C19H19N5OS/c1-12(2)25-11-13-5-6-20-18(7-13)24-19-23-16-4-3-14(8-17(16)26-19)15-9-21-22-10-15/h3-10,12H,11H2,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyBVWDDMFSJMXRMH-UHFFFAOYSA-N
XLogP4.75
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine (CID 87945656) is N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine is CC(C)OCc1ccnc(Nc2nc3ccc(-c4cn[nH]c4)cc3s2)c1.
What is the InChIKey of N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is BVWDDMFSJMXRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-12(2)25-11-13-5-6-20-18(7-13)24-19-23-16-4-3-14(8-17(16)26-19)15-9-21-22-10-15/h3-10,12H,11H2,1-2H3,(H,21,22)(H,20,23,24).
What are the key properties of N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine?
N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 365.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-yloxymethyl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 87945656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).