3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol

C18H19N3OS — CID 44818462

IUPAC3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol
SMILESCc1cccc(Nc2nc(-c3ccncc3CCCO)cs2)c1
InChIInChI=1S/C18H19N3OS/c1-13-4-2-6-15(10-13)20-18-21-17(12-23-18)16-7-8-19-11-14(16)5-3-9-22/h2,4,6-8,10-12,22H,3,5,9H2,1H3,(H,20,21)
InChIKeyHTUUNJMULIHEOH-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.18
Rot. Bonds6

About 3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol

3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol (PubChem CID 44818462) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol
PubChem CID44818462
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol
SMILESCc1cccc(Nc2nc(-c3ccncc3CCCO)cs2)c1
InChIInChI=1S/C18H19N3OS/c1-13-4-2-6-15(10-13)20-18-21-17(12-23-18)16-7-8-19-11-14(16)5-3-9-22/h2,4,6-8,10-12,22H,3,5,9H2,1H3,(H,20,21)
InChIKeyHTUUNJMULIHEOH-UHFFFAOYSA-N
XLogP4.18
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol?
The IUPAC name of 3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol (CID 44818462) is 3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol?
The canonical SMILES for 3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol is Cc1cccc(Nc2nc(-c3ccncc3CCCO)cs2)c1.
What is the InChIKey of 3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol?
The InChIKey is HTUUNJMULIHEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-4-2-6-15(10-13)20-18-21-17(12-23-18)16-7-8-19-11-14(16)5-3-9-22/h2,4,6-8,10-12,22H,3,5,9H2,1H3,(H,20,21).
What are the key properties of 3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol?
3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol has a molecular weight of 325.44 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3-methylanilino)-1,3-thiazol-4-yl]-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 44818462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).