4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine

C17H18N2O2S — CID 41143854

IUPAC4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(NC[C@H]3CCCO3)n2)oc2ccccc12
InChIInChI=1S/C17H18N2O2S/c1-11-13-6-2-3-7-15(13)21-16(11)14-10-22-17(19-14)18-9-12-5-4-8-20-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyRNIYLZOZCCWUPA-GFCCVEGCSA-N
MW314.41 g/mol
LogP4.46
Rot. Bonds4

About 4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine

4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 41143854) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
PubChem CID41143854
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(NC[C@H]3CCCO3)n2)oc2ccccc12
InChIInChI=1S/C17H18N2O2S/c1-11-13-6-2-3-7-15(13)21-16(11)14-10-22-17(19-14)18-9-12-5-4-8-20-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyRNIYLZOZCCWUPA-GFCCVEGCSA-N
XLogP4.46
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
CID 39902652
4-[2,5-dimethyl-3-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2110290
4-[2,5-dimethyl-3-[2-(oxolan-2-ylmethylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3953146
N-benzyl-4-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-1,3-thiazol-2-amine
CID 2511300
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 664426
6-[2-(oxolan-2-ylmethylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2999460
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide
CID 41156154
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 6602804
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline
CID 82833997
4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 4876834

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine (CID 41143854) is 4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine is Cc1c(-c2csc(NC[C@H]3CCCO3)n2)oc2ccccc12.
What is the InChIKey of 4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is RNIYLZOZCCWUPA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-13-6-2-3-7-15(13)21-16(11)14-10-22-17(19-14)18-9-12-5-4-8-20-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 314.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 41143854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).