2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol

C17H20N4O2S — CID 87371058

IUPAC2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol
SMILESCOc1cc(Nc2nc(C(C)(C)O)cs2)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C17H20N4O2S/c1-10-8-18-15(19-10)12-6-5-11(7-13(12)23-4)20-16-21-14(9-24-16)17(2,3)22/h5-9,22H,1-4H3,(H,18,19)(H,20,21)
InChIKeyBJEDRUSRMSFCRS-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.82
Rot. Bonds5

About 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol

2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 87371058) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol
PubChem CID87371058
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol
SMILESCOc1cc(Nc2nc(C(C)(C)O)cs2)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C17H20N4O2S/c1-10-8-18-15(19-10)12-6-5-11(7-13(12)23-4)20-16-21-14(9-24-16)17(2,3)22/h5-9,22H,1-4H3,(H,18,19)(H,20,21)
InChIKeyBJEDRUSRMSFCRS-UHFFFAOYSA-N
XLogP3.82
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol (CID 87371058) is 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol is COc1cc(Nc2nc(C(C)(C)O)cs2)ccc1-c1ncc(C)[nH]1.
What is the InChIKey of 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is BJEDRUSRMSFCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-8-18-15(19-10)12-6-5-11(7-13(12)23-4)20-16-21-14(9-24-16)17(2,3)22/h5-9,22H,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol?
2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 344.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 87371058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).