(2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol

C19H20N4O2S — CID 94140396

IUPAC(2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol
SMILESCc1ccc(-c2nc(Cn3c(NC[C@H](C)O)nc4ccccc43)cs2)o1
InChIInChI=1S/C19H20N4O2S/c1-12(24)9-20-19-22-15-5-3-4-6-16(15)23(19)10-14-11-26-18(21-14)17-8-7-13(2)25-17/h3-8,11-12,24H,9-10H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyBDNYIVXQETVKPT-LBPRGKRZSA-N
MW368.46 g/mol
LogP3.90
Rot. Bonds6

About (2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol

(2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol (PubChem CID 94140396) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol
PubChem CID94140396
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol
SMILESCc1ccc(-c2nc(Cn3c(NC[C@H](C)O)nc4ccccc43)cs2)o1
InChIInChI=1S/C19H20N4O2S/c1-12(24)9-20-19-22-15-5-3-4-6-16(15)23(19)10-14-11-26-18(21-14)17-8-7-13(2)25-17/h3-8,11-12,24H,9-10H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyBDNYIVXQETVKPT-LBPRGKRZSA-N
XLogP3.90
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol (CID 94140396) is (2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol is Cc1ccc(-c2nc(Cn3c(NC[C@H](C)O)nc4ccccc43)cs2)o1.
What is the InChIKey of (2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol?
The InChIKey is BDNYIVXQETVKPT-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12(24)9-20-19-22-15-5-3-4-6-16(15)23(19)10-14-11-26-18(21-14)17-8-7-13(2)25-17/h3-8,11-12,24H,9-10H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of (2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol?
(2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol has a molecular weight of 368.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]benzimidazol-2-yl]amino]propan-2-ol is sourced from PubChem (CID 94140396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).