3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol

C19H19N5OS — CID 166633767

IUPAC3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol
SMILESCc1nc2ccc(Nc3nc(NCCCO)c4ccccc4n3)cc2s1
InChIInChI=1S/C19H19N5OS/c1-12-21-16-8-7-13(11-17(16)26-12)22-19-23-15-6-3-2-5-14(15)18(24-19)20-9-4-10-25/h2-3,5-8,11,25H,4,9-10H2,1H3,(H2,20,22,23,24)
InChIKeyUDNVCDVRCUJVOB-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.09
Rot. Bonds6

About 3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol

3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol (PubChem CID 166633767) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol
PubChem CID166633767
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol
SMILESCc1nc2ccc(Nc3nc(NCCCO)c4ccccc4n3)cc2s1
InChIInChI=1S/C19H19N5OS/c1-12-21-16-8-7-13(11-17(16)26-12)22-19-23-15-6-3-2-5-14(15)18(24-19)20-9-4-10-25/h2-3,5-8,11,25H,4,9-10H2,1H3,(H2,20,22,23,24)
InChIKeyUDNVCDVRCUJVOB-UHFFFAOYSA-N
XLogP4.09
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol (CID 166633767) is 3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol is Cc1nc2ccc(Nc3nc(NCCCO)c4ccccc4n3)cc2s1.
What is the InChIKey of 3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol?
The InChIKey is UDNVCDVRCUJVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-12-21-16-8-7-13(11-17(16)26-12)22-19-23-15-6-3-2-5-14(15)18(24-19)20-9-4-10-25/h2-3,5-8,11,25H,4,9-10H2,1H3,(H2,20,22,23,24).
What are the key properties of 3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol?
3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol has a molecular weight of 365.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 166633767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).